[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl]-methyl-ammonium Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O3/c1-22(14-16-5-3-2-4-6-16)15-20(26)24-11-9-23(10-12-24)18-8-7-17(21)13-19(18)25(27)28/h2-8,13H,9-12,14-15H2,1H3/p+1