4-(5-nitropyridin-1-ium-2-yl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-nitropyridin-1-ium-2-yl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-nitropyridin-1-ium-2-yl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(5-nitro-2-pyridin-1-iumyl)-N-(2,4,5-trimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-nitropyridin-1-ium-2-yl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-nitropyridin-1-ium-2-yl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Formula: C19H24N5O2S+ MolecularWeight: 386.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N5O2S/c1-13-10-15(3)17(11-14(13)2)21-19(27)23-8-6-22(7-9-23)18-5-4-16(12-20-18)24(25)26/h4-5,10-12H,6-9H2,1-3H3,(H,21,27)/p+1