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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-3-28-13-7-10-21(28)17-29(25(31)26-20-8-5-4-6-9-20)16-19-14-18-15-22(32-2)11-12-23(18)27-24(19)30/h4-6,8-9,11-12,14-15,21H,3,7,10,13,16-17H2,1-2H3,(H,26,31)(H,27,30)/p+1/t21-/m0/s1