N-(2-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide

Systemtic Name: N-(2-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Openeye Name: N-(2-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide CAS Name: N-(2-ethoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzamide IUPAC Name: N-(2-ethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzamide Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N-o-phenetyl-benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH+](CC3)C

InChI

InChI=1S/C20H24N4O4/c1-3-28-19-7-5-4-6-17(19)21-20(25)16-14-15(24(26)27)8-9-18(16)23-12-10-22(2)11-13-23/h4-9,14H,3,10-13H2,1-2H3,(H,21,25)/p+1