N-(2,3-dimethylphenyl)-2-[4-(4-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(4-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(4-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(4-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(4-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-15-4-3-5-19(16(15)2)22-20(26)14-23-10-12-24(13-11-23)21(27)17-6-8-18(9-7-17)25(28)29/h3-9H,10-14H2,1-2H3,(H,22,26)/p+1