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

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-(o-tolylmethyl)ammonium CAS Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C17H19NO3/c1-12-5-3-4-6-13(12)9-18(2)10-14-7-16-17(8-15(14)19)21-11-20-16/h3-8,19H,9-11H2,1-2H3/p+1