N-[[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[4-[(4-nitrophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[4-(4-nitrobenzyl)piperazine-1,4-diium-1-yl]methyl]nicotinamide Formula: C18H23N5O3+2 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CN=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H21N5O3/c24-18(16-2-1-7-19-12-16)20-14-22-10-8-21(9-11-22)13-15-3-5-17(6-4-15)23(25)26/h1-7,12H,8-11,13-14H2,(H,20,24)/p+2