3-(2-chlorophenyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 3-(2-chlorophenyl)-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-(2-chlorophenyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 3-(2-chlorophenyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-(2-chlorophenyl)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-(2-chlorophenyl)-1-[(2-keto-5,7-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=C(C(=O)NC2=C1)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4Cl)C

InChI

InChI=1S/C25H29ClN4O2/c1-17-13-18(2)20-15-19(24(31)27-23(20)14-17)16-30(12-11-29-9-5-6-10-29)25(32)28-22-8-4-3-7-21(22)26/h3-4,7-8,13-15H,5-6,9-12,16H2,1-2H3,(H,27,31)(H,28,32)/p+1