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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: [3-ethoxy-4-(2-thenyloxy)benzyl]-piperonyl-ammonium Formula: C22H24NO4S+ MolecularWeight: 398.49526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CS4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CS4

InChI

InChI=1S/C22H23NO4S/c1-2-24-21-10-16(5-7-19(21)25-14-18-4-3-9-28-18)12-23-13-17-6-8-20-22(11-17)27-15-26-20/h3-11,23H,2,12-15H2,1H3/p+1