8-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)sulfanylquinoline

Systemtic Name: 8-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)sulfanylquinoline Openeye Name: 8-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)sulfanylquinoline CAS Name: 8-[[2-nitro-5-(1-piperazin-4-iumyl)phenyl]thio]quinoline IUPAC Name: 8-(2-nitro-5-piperazin-4-ium-1-ylphenyl)sulfanylquinoline Traditional Name: 8-[(2-nitro-5-piperazin-4-ium-1-yl-phenyl)thio]quinoline Formula: C19H19N4O2S+ MolecularWeight: 367.44476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C19H18N4O2S/c24-23(25)16-7-6-15(22-11-9-20-10-12-22)13-18(16)26-17-5-1-3-14-4-2-8-21-19(14)17/h1-8,13,20H,9-12H2/p+1