ethyl (3S)-1-(1H-benzimidazol-2-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1H-benzimidazol-2-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(1H-benzimidazol-2-ylmethyl)-3-benzyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1H-benzimidazol-2-ylmethyl)-3-benzylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-3-benzyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-2-28-22(27)23(15-18-9-4-3-5-10-18)13-8-14-26(17-23)16-21-24-19-11-6-7-12-20(19)25-21/h3-7,9-12H,2,8,13-17H2,1H3,(H,24,25)/p+1/t23-/m0/s1