ethyl (3R)-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-benzyl-1-[4-(4-hydroxybut-1-ynyl)benzyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C26H32NO3+ MolecularWeight: 406.53718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=C(C=C2)C#CCCO)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=CC=C(C=C2)C#CCCO)CC3=CC=CC=C3

InChI

InChI=1S/C26H31NO3/c1-2-30-25(29)26(19-23-10-4-3-5-11-23)16-8-17-27(21-26)20-24-14-12-22(13-15-24)9-6-7-18-28/h3-5,10-15,28H,2,7-8,16-21H2,1H3/p+1/t26-/m1/s1