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

Systemtic Name: methyl (2S,4S)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H32NO3+ MolecularWeight: 334.47298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3/c1-19(2,3)13-20(4,5)14-7-9-15(10-8-14)24-16-11-17(21-12-16)18(22)23-6/h7-10,16-17,21H,11-13H2,1-6H3/p+1/t16-,17-/m0/s1