methyl 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3R)-chroman-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3R)-chroman-3-yl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22NO3+ MolecularWeight: 276.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C2CC3=CC=CC=C3OC2

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@@H]2CC3=CC=CC=C3OC2

InChI

InChI=1S/C16H21NO3/c1-19-16(18)12-6-8-17(9-7-12)14-10-13-4-2-3-5-15(13)20-11-14/h2-5,12,14H,6-11H2,1H3/p+1/t14-/m1/s1