3-(2-fluorophenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 3-(2-fluorophenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-(2-fluorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 3-(2-fluorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-(2-fluorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-(2-fluorophenyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C24H28FN4O2+ MolecularWeight: 423.503123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C24H27FN4O2/c1-17-8-9-21-18(14-17)15-19(23(30)26-21)16-29(13-12-28-10-4-5-11-28)24(31)27-22-7-3-2-6-20(22)25/h2-3,6-9,14-15H,4-5,10-13,16H2,1H3,(H,26,30)(H,27,31)/p+1