1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-phenyl-urea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-phenyl-urea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-phenyl-urea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-phenylurea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-phenylurea Traditional Name: 1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenyl-urea Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=CC(=CC(=C3NC2=O)C)C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN(CC2=CC3=CC(=CC(=C3NC2=O)C)C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-4-29-12-8-11-23(29)17-30(26(32)27-22-9-6-5-7-10-22)16-21-15-20-14-18(2)13-19(3)24(20)28-25(21)31/h5-7,9-10,13-15,23H,4,8,11-12,16-17H2,1-3H3,(H,27,32)(H,28,31)/p+1/t23-/m0/s1