N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-15-7-8-19(25(27)28)21(16(15)2)22-20(26)14-23-9-11-24(12-10-23)17-5-4-6-18(13-17)29-3/h4-8,13H,9-12,14H2,1-3H3,(H,22,26)/p+1