ethyl (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-benzyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-benzylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-benzyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H28NO4+ MolecularWeight: 382.47272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=C3C(=CC=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=C3C(=CC=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27NO4/c1-2-26-22(25)23(14-18-8-4-3-5-9-18)12-7-13-24(16-23)15-19-10-6-11-20-21(19)28-17-27-20/h3-6,8-11H,2,7,12-17H2,1H3/p+1/t23-/m0/s1