1,3-benzodioxol-5-ylmethyl-[[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-methylazanium Traditional Name: [2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl-methyl-piperonyl-ammonium Formula: C20H20ClN2O3S+ MolecularWeight: 403.9024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CSC(=N3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CSC(=N3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-23(9-14-2-7-18-19(8-14)26-13-25-18)10-16-12-27-20(22-16)11-24-17-5-3-15(21)4-6-17/h2-8,12H,9-11,13H2,1H3/p+1