5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[3-(4-morpholin-4-iumyl)propyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-quinone Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NCCC[NH+]2CCOCC2)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NCCC[NH+]2CCOCC2)C

InChI

InChI=1S/C16H26N2O3/c1-16(2)10-14(19)13(15(20)11-16)12-17-4-3-5-18-6-8-21-9-7-18/h12-13H,3-11H2,1-2H3/p+1