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

Systemtic Name: methyl (2S,4S)-4-(2-methoxy-4-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2-methoxy-4-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2-methoxy-4-methylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-methoxy-4-methylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-methoxy-4-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H20NO4+ MolecularWeight: 266.3129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-9-4-5-12(13(6-9)17-2)19-10-7-11(15-8-10)14(16)18-3/h4-6,10-11,15H,7-8H2,1-3H3/p+1/t10-,11-/m0/s1