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

Systemtic Name: 2-(phenylmethyl)-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium Openeye Name: 2-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium CAS Name: 2-(phenylmethyl)-3-[2-(1-piperidin-1-iumyl)ethyl]-1H-benzimidazol-3-ium IUPAC Name: 2-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium Traditional Name: 2-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium Formula: C21H27N3+2 MolecularWeight: 321.45918

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3/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/p+2