(4-methyl-3-nitro-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (4-methyl-3-nitro-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (4-methyl-3-nitrophenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (4-methyl-3-nitrophenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (4-methyl-3-nitro-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3/c1-9-2-3-10(8-11(9)15(17)18)12(16)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3/p+1