methyl (3S,4R)-4-(4-methoxyphenyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(4-methoxyphenyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: methyl (3S,4R)-4-(4-methoxyphenyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (3S,4R)-4-(4-methoxyphenyl)-3-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(4-methoxyphenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (3S,4R)-4-(4-methoxyphenyl)pyrrolidin-1-ium-3-carboxylic acid methyl ester Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C[NH2+]CC2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C[NH2+]C[C@H]2C(=O)OC

InChI

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