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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C25H30FN4O2+ MolecularWeight: 437.529703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O2/c1-2-18-5-10-23-19(15-18)16-20(24(31)28-23)17-30(14-13-29-11-3-4-12-29)25(32)27-22-8-6-21(26)7-9-22/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,27,32)(H,28,31)/p+1