(2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]propanamide

Systemtic Name: (2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]propanamide Openeye Name: (2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]propanamide CAS Name: (2S)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[(2S)-2-phenylbutyl]propanamide IUPAC Name: (2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]propanamide Traditional Name: (2S)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[(2S)-2-phenylbutyl]propionamide Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)SC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)SC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2S/c1-3-15(16-9-5-4-6-10-16)13-19-18(21)14(2)23-17-11-7-8-12-20(17)22/h4-12,14-15H,3,13H2,1-2H3,(H,19,21)/t14-,15+/m0/s1