ethyl 1-[3-(dimethylamino)propyl]-2-heptadecyl-benzimidazole-5-carboxylate hydrochloride

Systemtic Name: ethyl 1-[3-(dimethylamino)propyl]-2-heptadecyl-benzimidazole-5-carboxylate hydrochloride Openeye Name: ethyl 1-[3-(dimethylamino)propyl]-2-heptadecyl-benzimidazole-5-carboxylate hydrochloride CAS Name: 1-[3-(dimethylamino)propyl]-2-heptadecyl-5-benzimidazolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[3-(dimethylamino)propyl]-2-heptadecylbenzimidazole-5-carboxylate hydrochloride Traditional Name: 1-[3-(dimethylamino)propyl]-2-heptadecyl-benzimidazole-5-carboxylic acid ethyl ester hydrochloride Formula: C32H56ClN3O2 MolecularWeight: 550.25894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC2=C(N1CCCN(C)C)C=CC(=C2)C(=O)OCC.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC2=C(N1CCCN(C)C)C=CC(=C2)C(=O)OCC.Cl

InChI

InChI=1S/C32H55N3O2.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-33-29-27-28(32(36)37-6-2)23-24-30(29)35(31)26-21-25-34(3)4;/h23-24,27H,5-22,25-26H2,1-4H3;1H