1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium chloride

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium chloride Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium chloride CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium chloride IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium chloride Traditional Name: [3-methoxy-4-(2-thenyloxy)benzyl]-piperonyl-ammonium chloride Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CS4.[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CS4.[Cl-]

InChI

InChI=1S/C21H21NO4S.ClH/c1-23-20-9-15(4-6-18(20)24-13-17-3-2-8-27-17)11-22-12-16-5-7-19-21(10-16)26-14-25-19;/h2-10,22H,11-14H2,1H3;1H