[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-benzyl-methylazanium Traditional Name: benzyl-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3/c1-20(11-14-5-3-2-4-6-14)12-18(21)19-10-15-7-8-16-17(9-15)23-13-22-16/h2-9H,10-13H2,1H3,(H,19,21)/p+1