1,3-benzodioxol-5-ylmethyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium chloride

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium chloride Openeye Name: 1,3-benzodioxol-5-ylmethyl-(2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium chloride CAS Name: 1,3-benzodioxol-5-ylmethyl-(1-hydroxy-1-phenylpropan-2-yl)ammonium chloride IUPAC Name: 1,3-benzodioxol-5-ylmethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride Traditional Name: (2-hydroxy-1-methyl-2-phenyl-ethyl)-piperonyl-ammonium chloride Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C17H19NO3.ClH/c1-12(17(19)14-5-3-2-4-6-14)18-10-13-7-8-15-16(9-13)21-11-20-15;/h2-9,12,17-19H,10-11H2,1H3;1H