1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4O2/c1-18-10-11-20-16-21(24(30)27-23(20)19(18)2)17-29(15-14-28-12-6-7-13-28)25(31)26-22-8-4-3-5-9-22/h3-5,8-11,16H,6-7,12-15,17H2,1-2H3,(H,26,31)(H,27,30)/p+1