(2R)-3-[4-[(2S)-butan-2-yl]phenyl]-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2R)-3-[4-[(2S)-butan-2-yl]phenyl]-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-N-allyl-3-[4-[(1S)-1-methylpropyl]phenyl]-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-3-[4-[(2S)-butan-2-yl]phenyl]-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-[4-[(2S)-butan-2-yl]phenyl]-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-N-allyl-3-keto-3-[4-[(1S)-1-methylpropyl]phenyl]-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)C(C(=NCC=C)[S-])[N+]2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)[C@H](C(=NCC=C)[S-])[N+]2=CC=CC=C2

InChI

InChI=1S/C21H24N2OS/c1-4-13-22-21(25)19(23-14-7-6-8-15-23)20(24)18-11-9-17(10-12-18)16(3)5-2/h4,6-12,14-16,19H,1,5,13H2,2-3H3/t16-,19+/m0/s1