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

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1-benzylpiperidin-1-ium-4-yl)-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzylpiperidin-1-ium-4-yl)-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H38N2O2+2 MolecularWeight: 386.57072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3)CC4CC4

InChI

InChI=1S/C24H36N2O2/c1-2-28-23(27)24(18-20-8-9-20)12-16-26(17-13-24)22-10-14-25(15-11-22)19-21-6-4-3-5-7-21/h3-7,20,22H,2,8-19H2,1H3/p+2