6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 6-(3,4-dimethylphenyl)-2-[(2-keto-2-morpholino-ethyl)thio]-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C27H28N3O3S+ MolecularWeight: 474.59452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=[NH+]C(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=[NH+]C(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC(=O)N4CCOCC4)C

InChI

InChI=1S/C27H27N3O3S/c1-18-4-5-21(14-19(18)2)25-15-23(20-6-8-22(32-3)9-7-20)24(16-28)27(29-25)34-17-26(31)30-10-12-33-13-11-30/h4-9,14-15H,10-13,17H2,1-3H3/p+1