ethyl (3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H32N2O2+2 MolecularWeight: 332.48028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H30N2O2/c1-2-24-20(23)18-9-6-12-22(16-18)19-10-13-21(14-11-19)15-17-7-4-3-5-8-17/h3-5,7-8,18-19H,2,6,9-16H2,1H3/p+2/t18-/m1/s1