4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-N-(2-pyridin-2-ylsulfanylethyl)benzamide

Systemtic Name: 4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-N-(2-pyridin-2-ylsulfanylethyl)benzamide Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[2-(2-pyridylsulfanyl)ethyl]benzamide CAS Name: 4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-N-[2-(2-pyridinylthio)ethyl]benzamide IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-pyridin-2-ylsulfanylethyl)benzamide Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[2-(2-pyridylthio)ethyl]benzamide Formula: C27H32N3OS+ MolecularWeight: 446.62748

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=CC=N4

InChI

InChI=1S/C27H31N3OS/c31-27(29-16-19-32-26-8-4-5-15-28-26)25-11-9-24(10-12-25)21-30-17-13-23(14-18-30)20-22-6-2-1-3-7-22/h1-12,15,23H,13-14,16-21H2,(H,29,31)/p+1