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

Systemtic Name: 3-[(4-ethoxyphenyl)amino]-1-(4-methylphenyl)-2-[4-(3-oxidanylpropyl)pyridin-1-ium-1-yl]-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(4-ethoxyanilino)-2-[4-(3-hydroxypropyl)pyridin-1-ium-1-yl]-1-(p-tolyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(4-ethoxyanilino)-2-[4-(3-hydroxypropyl)-1-pyridin-1-iumyl]-3-mercapto-1-(4-methylphenyl)-2-propen-1-one IUPAC Name: 3-(4-ethoxyanilino)-2-[4-(3-hydroxypropyl)pyridin-1-ium-1-yl]-1-(4-methylphenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-[4-(3-hydroxypropyl)pyridin-1-ium-1-yl]-3-mercapto-3-(p-phenetidino)-1-(p-tolyl)prop-2-en-1-one Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=C(C=C2)C)[N+]3=CC=C(C=C3)CCCO)S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=C(C=C2)C)[N+]3=CC=C(C=C3)CCCO)S

InChI

InChI=1S/C26H28N2O3S/c1-3-31-23-12-10-22(11-13-23)27-26(32)24(25(30)21-8-6-19(2)7-9-21)28-16-14-20(15-17-28)5-4-18-29/h6-17,29H,3-5,18H2,1-2H3,(H-,27,30,32)/p+1