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

Systemtic Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxamide Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxamide CAS Name: 1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperidine-4-carboxamide Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]isonipecotamide Formula: C17H26N5O5S+ MolecularWeight: 412.48384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O5S/c1-19-8-10-21(11-9-19)28(26,27)14-2-3-15(16(12-14)22(24)25)20-6-4-13(5-7-20)17(18)23/h2-3,12-13H,4-11H2,1H3,(H2,18,23)/p+1