3-(4-fluorophenyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-(4-fluorophenyl)-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C24H28FN4O3+ MolecularWeight: 439.502523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN4O3/c1-32-21-8-9-22-17(15-21)14-18(23(30)27-22)16-29(13-12-28-10-2-3-11-28)24(31)26-20-6-4-19(25)5-7-20/h4-9,14-15H,2-3,10-13,16H2,1H3,(H,26,31)(H,27,30)/p+1