methyl (2S,4S)-4-(2-bromanyl-4-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(2-bromanyl-4-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2-bromo-4-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2-bromo-4-methylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-bromo-4-methylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-bromo-4-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H17BrNO3+ MolecularWeight: 315.18298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CC([NH2+]C2)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@H]2C[C@H]([NH2+]C2)C(=O)OC)Br

InChI

InChI=1S/C13H16BrNO3/c1-8-3-4-12(10(14)5-8)18-9-6-11(15-7-9)13(16)17-2/h3-5,9,11,15H,6-7H2,1-2H3/p+1/t9-,11-/m0/s1