(2S)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(phenylthio)propionamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC=CO1)[NH+]2CCCCC2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC[C@@H](C1=CC=CO1)[NH+]2CCCCC2)SC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-16(25-17-9-4-2-5-10-17)20(23)21-15-18(19-11-8-14-24-19)22-12-6-3-7-13-22/h2,4-5,8-11,14,16,18H,3,6-7,12-13,15H2,1H3,(H,21,23)/p+1/t16-,18-/m0/s1