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

Systemtic Name: ethyl (3S)-1-[[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[4-(2-oxo-1-imidazolidinyl)phenyl]methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(2-ketoimidazolidin-1-yl)benzyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C26H34N3O4+ MolecularWeight: 452.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=C(C=C2)N3CCNC3=O)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=C(C=C2)N3CCNC3=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4/c1-2-32-24(30)26(14-18-33-23-7-4-3-5-8-23)13-6-16-28(20-26)19-21-9-11-22(12-10-21)29-17-15-27-25(29)31/h3-5,7-12H,2,6,13-20H2,1H3,(H,27,31)/p+1/t26-/m0/s1