3-(3-chlorophenyl)-1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 3-(3-chlorophenyl)-1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-(3-chlorophenyl)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 3-(3-chlorophenyl)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-(3-chlorophenyl)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-(3-chlorophenyl)-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C25H30ClN4O2+ MolecularWeight: 453.9843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C25H29ClN4O2/c1-17-12-18(2)23-19(13-17)14-20(24(31)28-23)16-30(11-10-29-8-3-4-9-29)25(32)27-22-7-5-6-21(26)15-22/h5-7,12-15H,3-4,8-11,16H2,1-2H3,(H,27,32)(H,28,31)/p+1