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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(2,3-dimethylphenyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2,3-dimethylanilino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(2,3-dimethylanilino)-3-mercapto-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2,3-dimethylanilino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(2,3-dimethylanilino)-3-mercapto-1-(2-thienyl)prop-2-en-1-one Formula: C22H24N3OS2+ MolecularWeight: 410.57546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=C(C=C3)N(C)C)S)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=C(C=C3)N(C)C)S)C

InChI

InChI=1S/C22H23N3OS2/c1-15-7-5-8-18(16(15)2)23-22(27)20(21(26)19-9-6-14-28-19)25-12-10-17(11-13-25)24(3)4/h5-14H,1-4H3,(H-,23,26,27)/p+1