(2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile

Systemtic Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile Openeye Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-oxo-2-(2-pyridyl)propanenitrile CAS Name: (2S)-3-[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-oxo-2-(2-pyridinyl)propanenitrile IUPAC Name: (2S)-3-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile Traditional Name: (2S)-3-keto-3-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(2-pyridyl)propionitrile Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)C(C#N)C3=CC=CC=N3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)[C@H](C#N)C3=CC=CC=N3

InChI

InChI=1S/C19H20N4O3S/c1-22-9-11-23(12-10-22)27(25,26)16-6-4-5-15(13-16)19(24)17(14-20)18-7-2-3-8-21-18/h2-8,13,17H,9-12H2,1H3/p+1/t17-/m1/s1