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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3/c1-8-5-9(14)3-4-12(8)18-10-6-11(15-7-10)13(16)17-2/h3-5,10-11,15H,6-7H2,1-2H3/p+1/t10-,11-/m0/s1