3-(4-fluorophenyl)-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 3-(4-fluorophenyl)-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-(4-fluorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 3-(4-fluorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-(4-fluorophenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-(4-fluorophenyl)-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C24H28FN4O2+ MolecularWeight: 423.503123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN4O2/c1-17-4-5-18-15-19(23(30)27-22(18)14-17)16-29(13-12-28-10-2-3-11-28)24(31)26-21-8-6-20(25)7-9-21/h4-9,14-15H,2-3,10-13,16H2,1H3,(H,26,31)(H,27,30)/p+1