4-ethoxy-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-2-nitro-benzamide

Systemtic Name: 4-ethoxy-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-2-nitro-benzamide Openeye Name: 4-ethoxy-5-methoxy-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-2-nitro-benzamide CAS Name: 4-ethoxy-5-methoxy-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-2-nitrobenzamide IUPAC Name: 4-ethoxy-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-2-nitrobenzamide Traditional Name: 4-ethoxy-5-methoxy-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-2-nitro-benzamide Formula: C23H31N4O5+ MolecularWeight: 443.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5/c1-4-32-22-16-20(27(29)30)19(15-21(22)31-3)23(28)24-8-9-25-10-12-26(13-11-25)18-7-5-6-17(2)14-18/h5-7,14-16H,4,8-13H2,1-3H3,(H,24,28)/p+1