N-(2-methoxy-5-nitro-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4/c1-28-19-8-7-17(24(26)27)15-18(19)21-20(25)9-10-22-11-13-23(14-12-22)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,21,25)/p+1