2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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