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

Systemtic Name: (Z)-1-(4-hexylphenyl)-3-[(4-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-1-(4-hexylphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-1-(4-hexylphenyl)-3-mercapto-3-(4-methylanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-1-(4-hexylphenyl)-3-(4-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-1-(4-hexylphenyl)-3-mercapto-3-(p-toluidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C27H31N2OS+ MolecularWeight: 431.61284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=C(C=C2)C)S)[N+]3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)/C(=C(\NC2=CC=C(C=C2)C)/S)/[N+]3=CC=CC=C3

InChI

InChI=1S/C27H30N2OS/c1-3-4-5-7-10-22-13-15-23(16-14-22)26(30)25(29-19-8-6-9-20-29)27(31)28-24-17-11-21(2)12-18-24/h6,8-9,11-20H,3-5,7,10H2,1-2H3,(H-,28,30,31)/p+1