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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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