1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-(1H-benzimidazol-2-ylthio)acetyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3)C(=O)N

InChI

InChI=1S/C20H27N5O2S/c21-18(27)20(25-10-4-1-5-11-25)8-12-24(13-9-20)17(26)14-28-19-22-15-6-2-3-7-16(15)23-19/h2-3,6-7H,1,4-5,8-14H2,(H2,21,27)(H,22,23)/p+1