2-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ium-1-yl-butan-2-yl]oxycarbonylbenzoate

Systemtic Name: 2-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ium-1-yl-butan-2-yl]oxycarbonylbenzoate Openeye Name: 2-[(1R)-2,2-dimethyl-1-(pyrrolidin-1-ium-1-ylmethyl)propoxy]carbonylbenzoate CAS Name: 2-[[(2R)-3,3-dimethyl-1-(1-pyrrolidin-1-iumyl)butan-2-yl]oxy-oxomethyl]benzoate IUPAC Name: 2-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ium-1-ylbutan-2-yl]oxycarbonylbenzoate Traditional Name: 2-[(1R)-2,2-dimethyl-1-(pyrrolidin-1-ium-1-ylmethyl)propoxy]carbonylbenzoate Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C[NH+]1CCCC1)OC(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H](C[NH+]1CCCC1)OC(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C18H25NO4/c1-18(2,3)15(12-19-10-6-7-11-19)23-17(22)14-9-5-4-8-13(14)16(20)21/h4-5,8-9,15H,6-7,10-12H2,1-3H3,(H,20,21)/t15-/m0/s1