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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: piperonyl-[4-(2-thenyloxy)benzyl]ammonium Formula: C20H20NO3S+ MolecularWeight: 354.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)OCC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)OCC4=CC=CS4

InChI

InChI=1S/C20H19NO3S/c1-2-18(25-9-1)13-22-17-6-3-15(4-7-17)11-21-12-16-5-8-19-20(10-16)24-14-23-19/h1-10,21H,11-14H2/p+1