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

Systemtic Name: methyl (2S,4S)-4-(2-methylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2-methylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2-methylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-methylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-methylphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1O[C@H]2C[C@H]([NH2+]C2)C(=O)OC

InChI

InChI=1S/C13H17NO3/c1-9-5-3-4-6-12(9)17-10-7-11(14-8-10)13(15)16-2/h3-6,10-11,14H,7-8H2,1-2H3/p+1/t10-,11-/m0/s1