(3-methyl-2-nitro-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (3-methyl-2-nitro-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (3-methyl-2-nitro-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (3-methyl-2-nitrophenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (3-methyl-2-nitrophenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (3-methyl-2-nitro-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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