1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-(4-fluorophenyl)-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C25H30FN4O2+ MolecularWeight: 437.529703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)F

InChI

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