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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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