1-(3,4-dimethylphenyl)-3-[(2-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(2-methylanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(o-toluidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H23N2OS+ MolecularWeight: 375.50652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2C)S)[N+]3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2C)S)[N+]3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2OS/c1-16-11-12-19(15-18(16)3)22(26)21(25-13-7-4-8-14-25)23(27)24-20-10-6-5-9-17(20)2/h4-15H,1-3H3,(H-,24,26,27)/p+1