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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)N3CCNC3=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)N3CCNC3=O)CC4=CC=CC=C4

InChI

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