4-methoxy-3-nitro-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: 4-methoxy-3-nitro-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitro-benzamide Formula: C25H27N4O4+ MolecularWeight: 447.50628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O4/c1-33-24-12-7-20(17-23(24)29(31)32)25(30)26-21-8-10-22(11-9-21)28-15-13-27(14-16-28)18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,26,30)/p+1