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

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(6-methoxy-2-naphthyl)propanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)propanoic 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)propanoate Traditional Name: 2-(6-methoxy-2-naphthyl)propionic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C23H30NO3+ MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3CC4CCC(C3)[N+]4(C)C

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3CC4CCC(C3)[N+]4(C)C

InChI

InChI=1S/C23H30NO3/c1-15(16-5-6-18-12-21(26-4)10-7-17(18)11-16)23(25)27-22-13-19-8-9-20(14-22)24(19,2)3/h5-7,10-12,15,19-20,22H,8-9,13-14H2,1-4H3/q+1