methyl (2S,4R)-4-(2-methyl-4-phenylmethoxy-butan-2-yl)oxypyrrolidin-1-ium-2-carboxylate chloride

Systemtic Name: methyl (2S,4R)-4-(2-methyl-4-phenylmethoxy-butan-2-yl)oxypyrrolidin-1-ium-2-carboxylate chloride Openeye Name: methyl (2S,4R)-4-(3-benzyloxy-1,1-dimethyl-propoxy)pyrrolidin-1-ium-2-carboxylate chloride CAS Name: (2S,4R)-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxy-2-pyrrolidin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl (2S,4R)-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxypyrrolidin-1-ium-2-carboxylate chloride Traditional Name: (2S,4R)-4-(3-benzoxy-1,1-dimethyl-propoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester chloride Formula: C18H28ClNO4 MolecularWeight: 357.87222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOCC1=CC=CC=C1)OC2CC([NH2+]C2)C(=O)OC.[Cl-]

Isomeric SMILES

CC(C)(CCOCC1=CC=CC=C1)O[C@@H]2C[C@H]([NH2+]C2)C(=O)OC.[Cl-]

InChI

InChI=1S/C18H27NO4.ClH/c1-18(2,9-10-22-13-14-7-5-4-6-8-14)23-15-11-16(19-12-15)17(20)21-3;/h4-8,15-16,19H,9-13H2,1-3H3;1H/t15-,16+;/m1./s1