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Calmidazolium Chloride
[CAS# 94724-12-6]

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Identification
Name Calmidazolium Chloride
Synonyms COMPOUND 48/80 TRIHYDROCHLORIDE
Molecular Structure CAS#: 94724-12-6, Calmidazolium Chloride
Molecular Formula C32H47Cl2N3O3
Molecular Weight 595.66
CAS Registry Number 94724-12-6
SMILES [H].[H].[H].CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3OC)CCNC)CCNC)OC.Cl.Cl
InChI 1S/C32H45N3O3.2ClH.3H/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5;;;;;/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3;2*1H;;;
InChIKey GSCRFMLCYGPRLT-UHFFFAOYSA-N
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