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

Systemtic Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]urea Openeye Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea CAS Name: 1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea IUPAC Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-(4-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-(4-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=C(C=C4)OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN(CC2=CC3=C(C=CC(=C3)C)NC2=O)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H32N4O3/c1-4-29-13-5-6-22(29)17-30(26(32)27-21-8-10-23(33-3)11-9-21)16-20-15-19-14-18(2)7-12-24(19)28-25(20)31/h7-12,14-15,22H,4-6,13,16-17H2,1-3H3,(H,27,32)(H,28,31)/p+1/t22-/m0/s1