2-azanyl-1-[3,5-ditert-butyl-1,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]propan-1-one hydrochloride

Systemtic Name: 2-azanyl-1-[3,5-ditert-butyl-1,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]propan-1-one hydrochloride Openeye Name: 2-amino-1-(3,5-ditert-butyl-1,4-dihydroxy-cyclohexa-2,5-dien-1-yl)propan-1-one hydrochloride CAS Name: 2-amino-1-(3,5-ditert-butyl-1,4-dihydroxy-1-cyclohexa-2,5-dienyl)-1-propanone hydrochloride IUPAC Name: 2-amino-1-(3,5-ditert-butyl-1,4-dihydroxycyclohexa-2,5-dien-1-yl)propan-1-one hydrochloride Traditional Name: 2-amino-1-(3,5-ditert-butyl-1,4-dihydroxy-cyclohexa-2,5-dien-1-yl)propan-1-one hydrochloride Formula: C17H30ClNO3 MolecularWeight: 331.878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(C=C(C(C(=C1)C(C)(C)C)O)C(C)(C)C)O)N.Cl

Isomeric SMILES

CC(C(=O)C1(C=C(C(C(=C1)C(C)(C)C)O)C(C)(C)C)O)N.Cl

InChI

InChI=1S/C17H29NO3.ClH/c1-10(18)14(20)17(21)8-11(15(2,3)4)13(19)12(9-17)16(5,6)7;/h8-10,13,19,21H,18H2,1-7H3;1H