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

Systemtic Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-1,3-benzothiazole-2-thione Openeye Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-1,3-benzothiazole-2-thione CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-6-nitro-1,3-benzothiazole-2-thione IUPAC Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-1,3-benzothiazole-2-thione Traditional Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-1,3-benzothiazole-2-thione Formula: C19H21N4O3S2+ MolecularWeight: 417.52504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])SC3=S

InChI

InChI=1S/C19H20N4O3S2/c1-26-17-5-3-2-4-15(17)21-10-8-20(9-11-21)13-22-16-7-6-14(23(24)25)12-18(16)28-19(22)27/h2-7,12H,8-11,13H2,1H3/p+1