5,5-dimethyl-2-[1-(piperidin-1-ium-4-ylmethylamino)ethenyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[1-(piperidin-1-ium-4-ylmethylamino)ethenyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[1-(piperidin-1-ium-4-ylmethylamino)vinyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-(4-piperidin-1-iumylmethylamino)ethenyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[1-(piperidin-1-ium-4-ylmethylamino)ethenyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[1-(piperidin-1-ium-4-ylmethylamino)vinyl]cyclohexane-1,3-quinone Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=C)NCC2CC[NH2+]CC2)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=C)NCC2CC[NH2+]CC2)C

InChI

InChI=1S/C16H26N2O2/c1-11(18-10-12-4-6-17-7-5-12)15-13(19)8-16(2,3)9-14(15)20/h12,15,17-18H,1,4-10H2,2-3H3/p+1