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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)[C@](NC2=O)(C)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H27N3O4/c1-3-30-20(27)17-10-12-25(13-11-17)15-26-21(28)23(2,24-22(26)29)19-9-8-16-6-4-5-7-18(16)14-19/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,24,29)/p+1/t23-/m0/s1