3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-1,3-benzothiazole-2-thione Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-1,3-benzothiazole-2-thione CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-6-nitro-1,3-benzothiazole-2-thione IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-1,3-benzothiazole-2-thione Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-1,3-benzothiazole-2-thione Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S)C

InChI

InChI=1S/C20H22N4O2S2/c1-14-4-3-5-17(15(14)2)22-10-8-21(9-11-22)13-23-18-7-6-16(24(25)26)12-19(18)28-20(23)27/h3-7,12H,8-11,13H2,1-2H3/p+1