2-(4-chloranylphenoxy)ethyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium Formula: C17H19ClNO4+ MolecularWeight: 336.79006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C17H18ClNO4/c1-19(6-7-21-14-4-2-13(18)3-5-14)10-12-8-16-17(9-15(12)20)23-11-22-16/h2-5,8-9,20H,6-7,10-11H2,1H3/p+1