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

Systemtic Name: N-ethyl-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxamide Openeye Name: N-ethyl-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxamide CAS Name: N-ethyl-1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-ethyl-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperidine-4-carboxamide Traditional Name: N-ethyl-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]isonipecotamide Formula: C19H30N5O5S+ MolecularWeight: 440.537

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O5S/c1-3-20-19(25)15-6-8-22(9-7-15)17-5-4-16(14-18(17)24(26)27)30(28,29)23-12-10-21(2)11-13-23/h4-5,14-15H,3,6-13H2,1-2H3,(H,20,25)/p+1