3-octyl-N-(thiophen-2-ylmethyl)-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-octyl-N-(thiophen-2-ylmethyl)-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-octyl-N-(2-thienylmethyl)-1H-benzimidazol-3-ium-2-amine CAS Name: 3-octyl-N-(thiophen-2-ylmethyl)-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-octyl-N-(thiophen-2-ylmethyl)-1H-benzimidazol-3-ium-2-amine Traditional Name: (3-octyl-1H-benzimidazol-3-ium-2-yl)-(2-thenyl)amine Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CS3

Isomeric SMILES

CCCCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CS3

InChI

InChI=1S/C20H27N3S/c1-2-3-4-5-6-9-14-23-19-13-8-7-12-18(19)22-20(23)21-16-17-11-10-15-24-17/h7-8,10-13,15H,2-6,9,14,16H2,1H3,(H,21,22)/p+1