5,5-dimethyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]cyclohexane-1,3-dione Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NC2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NC2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H28N2O2/c1-21(2)12-19(24)18(20(25)13-21)14-22-17-8-10-23(11-9-17)15-16-6-4-3-5-7-16/h3-7,14,17-18H,8-13,15H2,1-2H3/p+1