methyl (2S,4S)-4-(3-methyl-4-propan-2-yl-phenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(3-methyl-4-propan-2-yl-phenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4-isopropyl-3-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(3-methyl-4-propan-2-ylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(3-methyl-4-propan-2-ylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(4-isopropyl-3-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-10(2)14-6-5-12(7-11(14)3)20-13-8-15(17-9-13)16(18)19-4/h5-7,10,13,15,17H,8-9H2,1-4H3/p+1/t13-,15-/m0/s1