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

Systemtic Name: 5-ethoxy-4-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 5-ethoxy-4-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 5-ethoxy-4-methoxy-2-nitro-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 5-ethoxy-4-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 5-ethoxy-4-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C22H29N4O5+ MolecularWeight: 429.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H28N4O5/c1-3-31-21-15-18(19(26(28)29)16-20(21)30-2)22(27)23-9-10-24-11-13-25(14-12-24)17-7-5-4-6-8-17/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,27)/p+1