4,6-dimethyl-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-1-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-nicotinonitrile Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C19H21N5O2S/c1-14-11-15(2)23(19(27)18(14)12-20)13-21-7-9-22(10-8-21)16-3-5-17(6-4-16)24(25)26/h3-6,11H,7-10,13H2,1-2H3/p+1