1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]urea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]urea Traditional Name: 3-benzyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]urea Formula: C27H35N4O3+ MolecularWeight: 463.5918

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=CC(=C3)OCC)NC2=O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC3=C(C=CC(=C3)OCC)NC2=O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3/c1-3-30-14-8-11-23(30)19-31(27(33)28-17-20-9-6-5-7-10-20)18-22-15-21-16-24(34-4-2)12-13-25(21)29-26(22)32/h5-7,9-10,12-13,15-16,23H,3-4,8,11,14,17-19H2,1-2H3,(H,28,33)(H,29,32)/p+1/t23-/m1/s1