6-chloranyl-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one

Systemtic Name: 6-chloranyl-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Openeye Name: 6-chloro-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one CAS Name: 6-chloro-2-phenyl-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinolin-4-one IUPAC Name: 6-chloro-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Traditional Name: 6-chloro-2-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-4-quinolone Formula: C20H20ClN2O+ MolecularWeight: 339.8386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN2O/c21-15-8-9-18-16(12-15)20(24)17(13-23-10-4-5-11-23)19(22-18)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,22,24)/p+1