(2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide

Systemtic Name: (2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide Openeye Name: (2S)-N-[(1R)-1-methyl-3-phenyl-propyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2S)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[(2R)-4-phenylbutan-2-yl]propanamide IUPAC Name: (2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide Traditional Name: (2S)-N-[(1R)-1-methyl-3-phenyl-propyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H22N2O2S/c1-14(11-12-16-8-4-3-5-9-16)19-18(21)15(2)23-17-10-6-7-13-20(17)22/h3-10,13-15H,11-12H2,1-2H3,(H,19,21)/t14-,15+/m1/s1