N-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)-1H-benzimidazol-3-ium-2-amine dichloride

Systemtic Name: N-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)-1H-benzimidazol-3-ium-2-amine dichloride Openeye Name: 3-(2-morpholin-4-ium-4-ylethyl)-N-(p-tolylmethyl)-1H-benzimidazol-3-ium-2-amine dichloride CAS Name: N-[(4-methylphenyl)methyl]-3-[2-(4-morpholin-4-iumyl)ethyl]-1H-benzimidazol-3-ium-2-amine dichloride IUPAC Name: N-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ium-4-ylethyl)-1H-benzimidazol-3-ium-2-amine dichloride Traditional Name: (4-methylbenzyl)-[3-(2-morpholin-4-ium-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]amine dichloride Formula: C21H28Cl2N4O MolecularWeight: 423.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCOCC4.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCOCC4.[Cl-].[Cl-]

InChI

InChI=1S/C21H26N4O.2ClH/c1-17-6-8-18(9-7-17)16-22-21-23-19-4-2-3-5-20(19)25(21)11-10-24-12-14-26-15-13-24;;/h2-9H,10-16H2,1H3,(H,22,23);2*1H