methyl (2S,4S)-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-tetralin-5-yloxypyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-tetralin-5-yloxypyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H22NO3+ MolecularWeight: 276.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=CC3=C2CCCC3

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=CC3=C2CCCC3

InChI

InChI=1S/C16H21NO3/c1-19-16(18)14-9-12(10-17-14)20-15-8-4-6-11-5-2-3-7-13(11)15/h4,6,8,12,14,17H,2-3,5,7,9-10H2,1H3/p+1/t12-,14-/m0/s1