N,N-dimethyl-2-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C16H23N4O4+ MolecularWeight: 335.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4/c1-12-10-13(4-5-14(12)20(23)24)16(22)19-8-6-18(7-9-19)11-15(21)17(2)3/h4-5,10H,6-9,11H2,1-3H3/p+1