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

Systemtic Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea CAS Name: 1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea Traditional Name: 3-benzyl-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]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)OC)NC2=O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-3-29-13-7-10-22(29)18-30(26(32)27-16-19-8-5-4-6-9-19)17-21-14-20-15-23(33-2)11-12-24(20)28-25(21)31/h4-6,8-9,11-12,14-15,22H,3,7,10,13,16-18H2,1-2H3,(H,27,32)(H,28,31)/p+1/t22-/m0/s1