methyl (2S,4S)-4-(3-tert-butylphenoxy)pyrrolidin-1-ium-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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