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

Systemtic Name: ethyl (3S)-1-[[(4R)-4-methyl-4-naphthalen-2-yl-2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[(4R)-4-methyl-4-(2-naphthyl)-2,5-dioxo-imidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[(4R)-4-methyl-4-(2-naphthalenyl)-2,5-dioxo-1-imidazolidinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[(4R)-2,5-diketo-4-methyl-4-(2-naphthyl)imidazolidin-1-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=O)[C@@](NC2=O)(C)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H27N3O4/c1-3-30-20(27)18-9-6-12-25(14-18)15-26-21(28)23(2,24-22(26)29)19-11-10-16-7-4-5-8-17(16)13-19/h4-5,7-8,10-11,13,18H,3,6,9,12,14-15H2,1-2H3,(H,24,29)/p+1/t18-,23+/m0/s1