ethyl (3S)-1-[[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[4-(2-oxo-1-imidazolidinyl)phenyl]methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-[4-(2-ketoimidazolidin-1-yl)benzyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=C(C=C2)N3CCNC3=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=C(C=C2)N3CCNC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-2-31-23(29)25(17-20-7-4-3-5-8-20)13-6-15-27(19-25)18-21-9-11-22(12-10-21)28-16-14-26-24(28)30/h3-5,7-12H,2,6,13-19H2,1H3,(H,26,30)/p+1/t25-/m0/s1