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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-19-8-7-11-21-16-22(24(30)27-23(19)21)18-29(15-14-28-12-5-6-13-28)25(31)26-17-20-9-3-2-4-10-20/h2-4,7-11,16H,5-6,12-15,17-18H2,1H3,(H,26,31)(H,27,30)/p+1