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

Systemtic Name: 6-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(2-morpholin-4-ium-4-ylethylthio)-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C25H26N3OS+ MolecularWeight: 416.55844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC[NH+]4CCOCC4

InChI

InChI=1S/C25H25N3OS/c1-19-7-9-21(10-8-19)24-17-22(20-5-3-2-4-6-20)23(18-26)25(27-24)30-16-13-28-11-14-29-15-12-28/h2-10,17H,11-16H2,1H3/p+1