2-(phenylmethyl)-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium dichloride

Systemtic Name: 2-(phenylmethyl)-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium dichloride Openeye Name: 2-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium dichloride CAS Name: 2-(phenylmethyl)-3-[2-(1-piperidin-1-iumyl)ethyl]-1H-benzimidazol-3-ium dichloride IUPAC Name: 2-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium dichloride Traditional Name: 2-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium dichloride Formula: C21H27Cl2N3 MolecularWeight: 392.36518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC[N+]2=C(NC3=CC=CC=C32)CC4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC[N+]2=C(NC3=CC=CC=C32)CC4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C21H25N3.2ClH/c1-3-9-18(10-4-1)17-21-22-19-11-5-6-12-20(19)24(21)16-15-23-13-7-2-8-14-23;;/h1,3-6,9-12H,2,7-8,13-17H2;2*1H