2-[(4-cyanophenyl)methylsulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-cyanobenzyl)thio]benzamide Formula: C27H28N3OS+ MolecularWeight: 442.59572

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3OS/c28-18-21-10-12-23(13-11-21)20-32-26-9-5-4-8-25(26)27(31)29-24-14-16-30(17-15-24)19-22-6-2-1-3-7-22/h1-13,24H,14-17,19-20H2,(H,29,31)/p+1