1,3-benzodioxol-5-ylmethyl-[2-(3,5-dimethylphenoxy)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,5-dimethylphenoxy)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,5-dimethylphenoxy)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,5-dimethylphenoxy)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(3,5-dimethylphenoxy)ethyl]azanium Traditional Name: 2-(3,5-dimethylphenoxy)ethyl-piperonyl-ammonium Formula: C18H22NO3+ MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH2+]CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH2+]CC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H21NO3/c1-13-7-14(2)9-16(8-13)20-6-5-19-11-15-3-4-17-18(10-15)22-12-21-17/h3-4,7-10,19H,5-6,11-12H2,1-2H3/p+1