2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-piperidinophenyl)acetamide Formula: C27H29N4OS+ MolecularWeight: 457.61036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4OS/c32-26(28-22-13-15-23(16-14-22)30-17-7-2-8-18-30)20-33-27-29-24-11-5-6-12-25(24)31(27)19-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-20H2,(H,28,32)/p+1