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

Systemtic Name: 4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-6-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]-4-(4-methoxyphenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile Formula: C25H24N3O3S+ MolecularWeight: 446.54136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-30-20-9-7-18(8-10-20)21-15-23(19-5-3-2-4-6-19)27-25(22(21)16-26)32-17-24(29)28-11-13-31-14-12-28/h2-10,15H,11-14,17H2,1H3/p+1