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

Systemtic Name: methyl (2S,4S)-4-(3-propan-2-ylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(3-isopropylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(3-propan-2-ylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(3-propan-2-ylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(3-isopropylphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-10(2)11-5-4-6-12(7-11)19-13-8-14(16-9-13)15(17)18-3/h4-7,10,13-14,16H,8-9H2,1-3H3/p+1/t13-,14-/m0/s1