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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

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