4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile Formula: C14H16N7O4S+ MolecularWeight: 378.38634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N7O4S/c1-18-4-6-19(7-5-18)26(24,25)11-2-3-12(13(8-11)21(22)23)20-10-16-17-14(20)9-15/h2-3,8,10H,4-7H2,1H3/p+1