3-(2-piperidin-1-ium-1-ylethyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-benzimidazol-3-ium-2-amine dichloride

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-benzimidazol-3-ium-2-amine dichloride Openeye Name: N-[(4-isopropylphenyl)methyl]-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium-2-amine dichloride CAS Name: 3-[2-(1-piperidin-1-iumyl)ethyl]-N-[(4-propan-2-ylphenyl)methyl]-1H-benzimidazol-3-ium-2-amine dichloride IUPAC Name: 3-(2-piperidin-1-ium-1-ylethyl)-N-[(4-propan-2-ylphenyl)methyl]-1H-benzimidazol-3-ium-2-amine dichloride Traditional Name: (4-isopropylbenzyl)-[3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium-2-yl]amine dichloride Formula: C24H34Cl2N4 MolecularWeight: 449.45956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCCCC4.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCCCC4.[Cl-].[Cl-]

InChI

InChI=1S/C24H32N4.2ClH/c1-19(2)21-12-10-20(11-13-21)18-25-24-26-22-8-4-5-9-23(22)28(24)17-16-27-14-6-3-7-15-27;;/h4-5,8-13,19H,3,6-7,14-18H2,1-2H3,(H,25,26);2*1H