1-ethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinolin-2-one

Systemtic Name: 1-ethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-ethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinolin-2-one CAS Name: 1-ethyl-3-nitro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-quinolinone IUPAC Name: 1-ethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinolin-2-one Traditional Name: 1-ethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)carbostyril Formula: C20H22N5O3+ MolecularWeight: 380.42038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N5O3/c1-2-24-16-8-4-3-7-15(16)18(19(20(24)26)25(27)28)23-13-11-22(12-14-23)17-9-5-6-10-21-17/h3-10H,2,11-14H2,1H3/p+1