4-methoxy-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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