2-[1H-indol-3-yl(pyridin-1-ium-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[1H-indol-3-yl(pyridin-1-ium-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[1H-indol-3-yl(pyridin-1-ium-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1H-indol-3-yl(2-pyridin-1-iumyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[1H-indol-3-yl(pyridin-1-ium-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[1H-indol-3-yl(pyridin-1-ium-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC=[NH+]2)C3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2=CC=CC=[NH+]2)C3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C22H22N2O2/c1-22(2)11-18(25)21(19(26)12-22)20(17-9-5-6-10-23-17)15-13-24-16-8-4-3-7-14(15)16/h3-10,13,20-21,24H,11-12H2,1-2H3/p+1