1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h2-4,7-11,16H,5-6,12-15,17H2,1H3,(H,25,30)(H,26,29)/p+1