N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)isonipecotamide Formula: C17H26N5O3+ MolecularWeight: 348.42004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O3/c1-19-10-12-21(13-11-19)18-17(23)14-6-8-20(9-7-14)15-4-2-3-5-16(15)22(24)25/h2-5,14H,6-13H2,1H3,(H,18,23)/p+1