ethyl 4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-methylolpiperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C14H27N2O3+ MolecularWeight: 271.37578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)CO

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)CO

InChI

InChI=1S/C14H26N2O3/c1-2-19-14(18)15-8-5-13(6-9-15)16-7-3-4-12(10-16)11-17/h12-13,17H,2-11H2,1H3/p+1/t12-/m0/s1