1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]benzotriazole

Systemtic Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]benzotriazole Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]benzotriazole CAS Name: 1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]benzotriazole IUPAC Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]benzotriazole Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]benzotriazole Formula: C17H19N6O4S+ MolecularWeight: 403.43556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O4S/c1-20-8-10-21(11-9-20)28(26,27)13-6-7-16(17(12-13)23(24)25)22-15-5-3-2-4-14(15)18-19-22/h2-7,12H,8-11H2,1H3/p+1