N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-15-3-8-19(28-2)18(13-15)21-20(25)14-22-9-11-23(12-10-22)16-4-6-17(7-5-16)24(26)27/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)/p+1