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

Systemtic Name: methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium CAS Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylazanium Traditional Name: benzyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium Formula: C16H18NO3+ MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C16H17NO3/c1-17(9-12-5-3-2-4-6-12)10-13-7-15-16(8-14(13)18)20-11-19-15/h2-8,18H,9-11H2,1H3/p+1