methyl (2S,4S)-4-(2-methyl-5-propan-2-yl-phenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(2-methyl-5-propan-2-yl-phenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(5-isopropyl-2-methyl-phenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2-methyl-5-propan-2-ylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-methyl-5-propan-2-ylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(5-isopropyl-2-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=C(C=C1)C(C)C)OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

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

InChI

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