1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4,5,6-trimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4,5,6-trimethyl-2-thioxo-nicotinonitrile Formula: C20H24ClN4S+ MolecularWeight: 387.94936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C20H23ClN4S/c1-14-15(2)19(12-22)20(26)25(16(14)3)13-23-7-9-24(10-8-23)18-6-4-5-17(21)11-18/h4-6,11H,7-10,13H2,1-3H3/p+1