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

Systemtic Name: methyl (2S,4R)-4-(2-propylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-(2-propylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-(2-propylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-(2-propylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(2-propylphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

CCCC1=CC=CC=C1O[C@@H]2C[C@H]([NH2+]C2)C(=O)OC

InChI

InChI=1S/C15H21NO3/c1-3-6-11-7-4-5-8-14(11)19-12-9-13(16-10-12)15(17)18-2/h4-5,7-8,12-13,16H,3,6,9-10H2,1-2H3/p+1/t12-,13+/m1/s1