1-ethyl-3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-2-one

Systemtic Name: 1-ethyl-3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-2-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-ethyl-3-nitro-quinolin-2-one CAS Name: 1-ethyl-3-nitro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-quinolinone IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-ethyl-3-nitroquinolin-2-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-ethyl-3-nitro-carbostyril Formula: C22H25N4O3+ MolecularWeight: 393.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3/c1-2-25-19-11-7-6-10-18(19)20(21(22(25)27)26(28)29)24-14-12-23(13-15-24)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3/p+1