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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-piperonyl-ammonium Formula: C21H21ClNO4S+ MolecularWeight: 418.91374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4S/c1-24-20-9-15(7-17(22)21(20)25-12-16-3-2-6-28-16)11-23-10-14-4-5-18-19(8-14)27-13-26-18/h2-9,23H,10-13H2,1H3/p+1