ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(3-phenylprop-2-ynyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[[(2R)-2-oxanyl]methyl]-1-(3-phenylprop-2-ynyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(3-phenylprop-2-ynyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-phenylprop-2-ynyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H32NO3+ MolecularWeight: 370.50508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC#CC2=CC=CC=C2)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC#CC2=CC=CC=C2)C[C@H]3CCCCO3

InChI

InChI=1S/C23H31NO3/c1-2-26-22(25)23(19-21-12-6-7-18-27-21)13-16-24(17-14-23)15-8-11-20-9-4-3-5-10-20/h3-5,9-10,21H,2,6-7,12-19H2,1H3/p+1/t21-/m1/s1