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

Systemtic Name: N,N-diethyl-2-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H27N4O4+ MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H26N4O4/c1-4-20(5-2)17(23)13-19-8-10-21(11-9-19)18(24)15-6-7-16(22(25)26)14(3)12-15/h6-7,12H,4-5,8-11,13H2,1-3H3/p+1