1-[(3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl)methyl]naphthalen-2-olate

Systemtic Name: 1-[(3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl)methyl]naphthalen-2-olate Openeye Name: 1-[(3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl)methyl]naphthalen-2-olate CAS Name: 1-[(3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl)methyl]-2-naphthalenolate IUPAC Name: 1-[(3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl)methyl]naphthalen-2-olate Traditional Name: 1-[(3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl)methyl]naphthalen-2-olate Formula: C21H27NO MolecularWeight: 309.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(C[NH+]2CC3=C(C=CC4=CC=CC=C43)[O-])C)C

Isomeric SMILES

CC1(CC2CC(C1)(C[NH+]2CC3=C(C=CC4=CC=CC=C43)[O-])C)C

InChI

InChI=1S/C21H27NO/c1-20(2)10-16-11-21(3,13-20)14-22(16)12-18-17-7-5-4-6-15(17)8-9-19(18)23/h4-9,16,23H,10-14H2,1-3H3