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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)N3CCNC3=O)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)N3CCNC3=O)CCOC

InChI

InChI=1S/C21H31N3O4/c1-3-28-19(25)21(10-15-27-2)8-12-23(13-9-21)16-17-4-6-18(7-5-17)24-14-11-22-20(24)26/h4-7H,3,8-16H2,1-2H3,(H,22,26)/p+1