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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methyl-3-nitro-phenyl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methyl-3-nitro-phenyl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(2-methyl-3-nitrophenyl)methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methyl-3-nitrophenyl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methyl-3-nitro-phenyl)methanone Formula: C14H20N3O3+ MolecularWeight: 278.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H19N3O3/c1-3-15-7-9-16(10-8-15)14(18)12-5-4-6-13(11(12)2)17(19)20/h4-6H,3,7-10H2,1-2H3/p+1