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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2/c1-2-24-20(23)19-10-6-7-13-22(19)18-11-14-21(15-12-18)16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3/p+2/t19-/m0/s1