ethyl 1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H21N2O3+ MolecularWeight: 289.34954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H20N2O3/c1-2-20-16(19)12-7-9-18(10-8-12)11-15-17-13-5-3-4-6-14(13)21-15/h3-6,12H,2,7-11H2,1H3/p+1