1-[[2-(phenylmethylsulfanyl)benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[2-(phenylmethylsulfanyl)benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[2-(phenylmethylthio)-1-benzimidazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(benzylthio)benzimidazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c22-20(26)17-10-12-24(13-11-17)15-25-19-9-5-4-8-18(19)23-21(25)27-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,22,26)/p+1