6-(4-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-[2-(4-morpholin-4-iumyl)ethylthio]-2-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-2-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethylthio)-2-phenyl-nicotinonitrile Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)SCC[NH+]3CCOCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)SCC[NH+]3CCOCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-29-21-9-7-19(8-10-21)23-17-24(31-16-13-28-11-14-30-15-12-28)22(18-26)25(27-23)20-5-3-2-4-6-20/h2-10,17H,11-16H2,1H3/p+1