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

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenyl]-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-allyl-3-[4-[(1S)-1-methylpropyl]phenyl]-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-[4-[(2S)-butan-2-yl]phenyl]-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenyl]-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-allyl-3-keto-3-[4-[(1S)-1-methylpropyl]phenyl]-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)C(C(=S)NCC=C)[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/p+1/t16-,19?/m0/s1