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

Systemtic Name: ethyl (3R)-1-(1-methylpiperidin-1-ium-4-yl)-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-(1-methyl-4-piperidin-1-iumyl)-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-benzyl-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H34N2O2+2 MolecularWeight: 346.50686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O2/c1-3-25-20(24)21(16-18-8-5-4-6-9-18)12-7-13-23(17-21)19-10-14-22(2)15-11-19/h4-6,8-9,19H,3,7,10-17H2,1-2H3/p+2/t21-/m1/s1