1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl(o-tolylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]azanium Traditional Name: (2-methylbenzyl)-piperonyl-ammonium Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17NO2/c1-12-4-2-3-5-14(12)10-17-9-13-6-7-15-16(8-13)19-11-18-15/h2-8,17H,9-11H2,1H3/p+1