ethyl (3S)-3-(phenylmethyl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(phenylmethyl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(phenylmethyl)-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C26H37N3O2+2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O2/c1-2-31-25(30)26(19-22-9-4-3-5-10-22)14-8-16-29(21-26)24-12-17-28(18-13-24)20-23-11-6-7-15-27-23/h3-7,9-11,15,24H,2,8,12-14,16-21H2,1H3/p+2/t26-/m0/s1