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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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