[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]-phenylmethanone Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-phenyl-methanone Formula: C18H20N3O3+ MolecularWeight: 326.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3/c1-19-9-11-20(12-10-19)16-8-7-15(13-17(16)21(23)24)18(22)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3/p+1