(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(6-methoxynaphthalen-2-yl)ethanoate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(6-methoxynaphthalen-2-yl)ethanoate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(6-methoxy-2-naphthyl)acetate CAS Name: 2-(6-methoxy-2-naphthalenyl)acetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(6-methoxynaphthalen-2-yl)acetate Traditional Name: 2-(6-methoxy-2-naphthyl)acetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)CC3=CC4=C(C=C3)C=C(C=C4)OC)C

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)CC3=CC4=C(C=C3)C=C(C=C4)OC)C

InChI

InChI=1S/C22H28NO3/c1-23(2)18-7-8-19(23)14-21(13-18)26-22(24)11-15-4-5-17-12-20(25-3)9-6-16(17)10-15/h4-6,9-10,12,18-19,21H,7-8,11,13-14H2,1-3H3/q+1