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

Systemtic Name: (2-methyl-3-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (2-methyl-3-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (2-methyl-3-nitrophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (2-methyl-3-nitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (2-methyl-3-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C13H18N3O3+ MolecularWeight: 264.30032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3/c1-10-11(4-3-5-12(10)16(18)19)13(17)15-8-6-14(2)7-9-15/h3-5H,6-9H2,1-2H3/p+1