methyl (2S,4S)-4-[4-[(2S)-butan-2-yl]phenoxy]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[4-[(2S)-butan-2-yl]phenoxy]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[4-[(1S)-1-methylpropyl]phenoxy]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[4-[(2S)-butan-2-yl]phenoxy]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[4-[(2S)-butan-2-yl]phenoxy]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[4-[(1S)-1-methylpropyl]phenoxy]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-4-11(2)12-5-7-13(8-6-12)20-14-9-15(17-10-14)16(18)19-3/h5-8,11,14-15,17H,4,9-10H2,1-3H3/p+1/t11-,14-,15-/m0/s1