2-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-methyl-2-nitro-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-methyl-2-nitro-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H24N4O4/c1-14-5-4-6-15(17(14)22(25)26)18(24)21-11-9-19(10-12-21)13-16(23)20-7-2-3-8-20/h4-6H,2-3,7-13H2,1H3/p+1