methyl (2S,4S)-4-(3-methylphenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(3-methylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(3-methylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(3-methylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(3-methylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(3-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=C1)OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-9-4-3-5-10(6-9)17-11-7-12(14-8-11)13(15)16-2/h3-6,11-12,14H,7-8H2,1-2H3/p+1/t11-,12-/m0/s1