ethyl (3S)-1-[[2,5-bis(oxidanylidene)-4,4-diphenyl-imidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[2,5-bis(oxidanylidene)-4,4-diphenyl-imidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2,5-dioxo-4,4-diphenyl-imidazolidin-1-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2,5-dioxo-4,4-diphenyl-1-imidazolidinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c1-2-31-21(28)18-10-9-15-26(16-18)17-27-22(29)24(25-23(27)30,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18H,2,9-10,15-17H2,1H3,(H,25,30)/p+1/t18-/m0/s1