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

Systemtic Name: 3-(4-chlorophenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-(4-chlorophenyl)-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C24H28ClN4O2+ MolecularWeight: 439.95772

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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=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O2/c1-17-4-9-22-18(14-17)15-19(23(30)27-22)16-29(13-12-28-10-2-3-11-28)24(31)26-21-7-5-20(25)6-8-21/h4-9,14-15H,2-3,10-13,16H2,1H3,(H,26,31)(H,27,30)/p+1