4-[2-(azepan-1-ium-1-yl)ethylamino]-3-nitro-1-phenyl-quinolin-2-one

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethylamino]-3-nitro-1-phenyl-quinolin-2-one Openeye Name: 4-[2-(azepan-1-ium-1-yl)ethylamino]-3-nitro-1-phenyl-quinolin-2-one CAS Name: 4-[2-(1-azepan-1-iumyl)ethylamino]-3-nitro-1-phenyl-2-quinolinone IUPAC Name: 4-[2-(azepan-1-ium-1-yl)ethylamino]-3-nitro-1-phenylquinolin-2-one Traditional Name: 4-[2-(azepan-1-ium-1-yl)ethylamino]-3-nitro-1-phenyl-carbostyril Formula: C23H27N4O3+ MolecularWeight: 407.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CCNC2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O3/c28-23-22(27(29)30)21(24-14-17-25-15-8-1-2-9-16-25)19-12-6-7-13-20(19)26(23)18-10-4-3-5-11-18/h3-7,10-13,24H,1-2,8-9,14-17H2/p+1