2,2-dimethyl-8-phenylmethoxycarbonyl-1,3-dioxa-8-azoniaspiro[3.4]octane-8-carboxylic acid

Systemtic Name: 2,2-dimethyl-8-phenylmethoxycarbonyl-1,3-dioxa-8-azoniaspiro[3.4]octane-8-carboxylic acid Openeye Name: 8-benzyloxycarbonyl-2,2-dimethyl-1,3-dioxa-8-azoniaspiro[3.4]octane-8-carboxylic acid CAS Name: 2,2-dimethyl-8-phenylmethoxycarbonyl-1,3-dioxa-8-azoniaspiro[3.4]octane-8-carboxylic acid IUPAC Name: 2,2-dimethyl-8-phenylmethoxycarbonyl-1,3-dioxa-8-azoniaspiro[3.4]octane-8-carboxylic acid Traditional Name: 8-carbobenzoxy-2,2-dimethyl-1,3-dioxa-8-azoniaspiro[3.4]octane-8-carboxylic acid Formula: C16H20NO6+ MolecularWeight: 322.3331

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2(O1)CCC[N+]2(C(=O)O)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(OC2(O1)CCC[N+]2(C(=O)O)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C16H19NO6/c1-15(2)22-16(23-15)9-6-10-17(16,13(18)19)14(20)21-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3/p+1