N-butyl-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: N-butyl-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-(thiophen-2-ylmethyl)propanamide Openeye Name: N-butyl-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-(2-thienylmethyl)propanamide CAS Name: N-butyl-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: N-butyl-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-(thiophen-2-ylmethyl)propanamide Traditional Name: N-butyl-3-(2-methyl-3H-benzimidazol-1-ium-1-yl)-N-(2-thenyl)propionamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CS1)C(=O)CC[N+]2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCCCN(CC1=CC=CS1)C(=O)CC[N+]2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C20H25N3OS/c1-3-4-12-22(15-17-8-7-14-25-17)20(24)11-13-23-16(2)21-18-9-5-6-10-19(18)23/h5-10,14H,3-4,11-13,15H2,1-2H3/p+1