ethyl 1-(oxan-4-yl)-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(oxan-4-yl)-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-phenethyl-1-tetrahydropyran-4-yl-piperidin-1-ium-4-carboxylate CAS Name: 1-(4-oxanyl)-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(oxan-4-yl)-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 4-phenethyl-1-tetrahydropyran-4-yl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32NO3+ MolecularWeight: 346.48368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCOCC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCOCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H31NO3/c1-2-25-20(23)21(11-8-18-6-4-3-5-7-18)12-14-22(15-13-21)19-9-16-24-17-10-19/h3-7,19H,2,8-17H2,1H3/p+1