1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]urea

Systemtic Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]urea Openeye Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea CAS Name: 1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea IUPAC Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea Traditional Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=CC(=C3)C)NC2=O)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN(CC2=CC3=C(C=CC(=C3)C)NC2=O)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C26H32N4O3/c1-4-29-13-7-8-21(29)17-30(26(32)28-23-9-5-6-10-24(23)33-3)16-20-15-19-14-18(2)11-12-22(19)27-25(20)31/h5-6,9-12,14-15,21H,4,7-8,13,16-17H2,1-3H3,(H,27,31)(H,28,32)/p+1/t21-/m0/s1