3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H21N2OS+ MolecularWeight: 325.44784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2CC2)S)[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2CC2)S)[N+]3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2OS/c1-13-6-7-15(12-14(13)2)18(22)17(19(23)20-16-8-9-16)21-10-4-3-5-11-21/h3-7,10-12,16H,8-9H2,1-2H3,(H-,20,22,23)/p+1