4-azanyl-5-(1,3-benzodioxol-5-yl)cyclohexane-1,2-diol chloride

Systemtic Name: 4-azanyl-5-(1,3-benzodioxol-5-yl)cyclohexane-1,2-diol chloride Openeye Name: 4-amino-5-(1,3-benzodioxol-5-yl)cyclohexane-1,2-diol chloride CAS Name: 4-amino-5-(1,3-benzodioxol-5-yl)cyclohexane-1,2-diol chloride IUPAC Name: 4-amino-5-(1,3-benzodioxol-5-yl)cyclohexane-1,2-diol chloride Traditional Name: 4-amino-5-(1,3-benzodioxol-5-yl)cyclohexane-1,2-diol chloride Formula: C13H17ClNO4- MolecularWeight: 286.73138

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1O)O)N)C2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

C1C(C(CC(C1O)O)N)C2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C13H17NO4.ClH/c14-9-5-11(16)10(15)4-8(9)7-1-2-12-13(3-7)18-6-17-12;/h1-3,8-11,15-16H,4-6,14H2;1H/p-1