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

Systemtic Name: ethyl (3S)-3-(2-methoxyethyl)-1-[[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-methoxyethyl)-1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-methoxyethyl)-1-[[4-(2-oxo-1-imidazolidinyl)phenyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-methoxyethyl)-1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(2-ketoimidazolidin-1-yl)benzyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-3-28-19(25)21(10-14-27-2)9-4-12-23(16-21)15-17-5-7-18(8-6-17)24-13-11-22-20(24)26/h5-8H,3-4,9-16H2,1-2H3,(H,22,26)/p+1/t21-/m0/s1