2-iodanyl-4-(3-oxidanylpiperidin-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one hydrochloride

Systemtic Name: 2-iodanyl-4-(3-oxidanylpiperidin-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one hydrochloride Openeye Name: 4-(3-hydroxy-1-piperidyl)-2-iodo-1-(2,4,6-trimethoxyphenyl)butan-1-one hydrochloride CAS Name: 4-(3-hydroxy-1-piperidinyl)-2-iodo-1-(2,4,6-trimethoxyphenyl)-1-butanone hydrochloride IUPAC Name: 4-(3-hydroxypiperidin-1-yl)-2-iodo-1-(2,4,6-trimethoxyphenyl)butan-1-one hydrochloride Traditional Name: 4-(3-hydroxypiperidino)-2-iodo-1-(2,4,6-trimethoxyphenyl)butan-1-one hydrochloride Formula: C18H27ClINO5 MolecularWeight: 499.76815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C(=O)C(CCN2CCCC(C2)O)I)OC.Cl

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C(=O)C(CCN2CCCC(C2)O)I)OC.Cl

InChI

InChI=1S/C18H26INO5.ClH/c1-23-13-9-15(24-2)17(16(10-13)25-3)18(22)14(19)6-8-20-7-4-5-12(21)11-20;/h9-10,12,14,21H,4-8,11H2,1-3H3;1H