methyl (3S,4R)-3-(3-hydroxyphenyl)carbonyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S,4R)-3-(3-hydroxyphenyl)carbonyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4R)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4R)-3-[(3-hydroxyphenyl)-oxomethoxy]-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4R)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H22NO5+ MolecularWeight: 320.36028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1C(C(C2)OC(=O)C3=CC(=CC=C3)O)C(=O)OC

Isomeric SMILES

C[NH+]1C2CCC1[C@H]([C@H](C2)OC(=O)C3=CC(=CC=C3)O)C(=O)OC

InChI

InChI=1S/C17H21NO5/c1-18-11-6-7-13(18)15(17(21)22-2)14(9-11)23-16(20)10-4-3-5-12(19)8-10/h3-5,8,11,13-15,19H,6-7,9H2,1-2H3/p+1/t11?,13?,14-,15+/m0/s1