1-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(2-chlorophenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-mercapto-2-propen-1-one IUPAC Name: 3-anilino-1-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(2-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-mercapto-prop-2-en-1-one Formula: C22H21ClN3OS+ MolecularWeight: 410.93964

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H20ClN3OS/c1-25(2)17-12-14-26(15-13-17)20(21(27)18-10-6-7-11-19(18)23)22(28)24-16-8-4-3-5-9-16/h3-15H,1-2H3,(H-,24,27,28)/p+1