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

Systemtic Name: methyl (2S,4R)-4-(2-methoxy-4-propyl-phenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-(2-methoxy-4-propyl-phenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-(2-methoxy-4-propylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-(2-methoxy-4-propylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(2-methoxy-4-propyl-phenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OC2CC([NH2+]C2)C(=O)OC)OC

Isomeric SMILES

CCCC1=CC(=C(C=C1)O[C@@H]2C[C@H]([NH2+]C2)C(=O)OC)OC

InChI

InChI=1S/C16H23NO4/c1-4-5-11-6-7-14(15(8-11)19-2)21-12-9-13(17-10-12)16(18)20-3/h6-8,12-13,17H,4-5,9-10H2,1-3H3/p+1/t12-,13+/m1/s1