ethyl 4-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-(4-methylol-4-p-anisyl-piperidin-1-ium-1-yl)piperidine-1-carboxylic acid ethyl ester Formula: C22H35N2O4+ MolecularWeight: 391.5243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)(CC3=CC=C(C=C3)OC)CO

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)(CC3=CC=C(C=C3)OC)CO

InChI

InChI=1S/C22H34N2O4/c1-3-28-21(26)24-12-8-19(9-13-24)23-14-10-22(17-25,11-15-23)16-18-4-6-20(27-2)7-5-18/h4-7,19,25H,3,8-17H2,1-2H3/p+1