1-[1-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-2-oxidanyl-piperidin-1-ium-1-yl]pentan-1-one hydrochloride

Systemtic Name: 1-[1-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-2-oxidanyl-piperidin-1-ium-1-yl]pentan-1-one hydrochloride Openeye Name: 1-[1-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-2-hydroxy-piperidin-1-ium-1-yl]pentan-1-one hydrochloride CAS Name: 1-[2-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-piperidin-1-iumyl]-1-pentanone hydrochloride IUPAC Name: 1-[2-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]piperidin-1-ium-1-yl]pentan-1-one hydrochloride Traditional Name: 1-[1-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-2-hydroxy-piperidin-1-ium-1-yl]pentan-1-one hydrochloride Formula: C25H43ClNO3+ MolecularWeight: 441.06682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)[N+]2(CCCCC2O)C(=O)CCCC)O.Cl

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)[N+]2(CCCCC2O)C(=O)CCCC)O.Cl

InChI

InChI=1S/C25H41NO3.ClH/c1-5-7-9-11-17-25(3,4)20-15-16-21(22(27)19-20)26(23(28)13-8-6-2)18-12-10-14-24(26)29;/h15-16,19,24,29H,5-14,17-18H2,1-4H3;1H/p+1