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

Systemtic Name: 3-(4-methoxyphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C25H31N4O3+ MolecularWeight: 435.53864

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-18-5-10-23-19(15-18)16-20(24(30)27-23)17-29(14-13-28-11-3-4-12-28)25(31)26-21-6-8-22(32-2)9-7-21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,26,31)(H,27,30)/p+1