ethyl 1-(1-phenethylpiperidin-1-ium-4-yl)-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1-phenethylpiperidin-1-ium-4-yl)-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1-phenethyl-4-piperidin-1-iumyl)-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C28H40N2O2+2 MolecularWeight: 436.6294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CC[NH+](CC2)CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CC[NH+](CC2)CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H38N2O2/c1-2-32-27(31)28(23-25-11-7-4-8-12-25)16-21-30(22-17-28)26-14-19-29(20-15-26)18-13-24-9-5-3-6-10-24/h3-12,26H,2,13-23H2,1H3/p+2