1-(phenylmethyl)-N-(2-phenylsulfanylethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-N-(2-phenylsulfanylethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-(2-phenylsulfanylethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(phenylmethyl)-N-[2-(phenylthio)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-(2-phenylsulfanylethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-[2-(phenylthio)ethyl]piperidin-1-ium-4-carboxamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCSC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCSC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c24-21(22-13-16-25-20-9-5-2-6-10-20)19-11-14-23(15-12-19)17-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H,22,24)/p+1