1,3-benzodioxol-5-ylmethyl-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]-methylazanium Traditional Name: [2-[2-(4-tert-butylphenoxy)ethylamino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H30N2O4/c1-23(2,3)18-6-8-19(9-7-18)27-12-11-24-22(26)15-25(4)14-17-5-10-20-21(13-17)29-16-28-20/h5-10,13H,11-12,14-16H2,1-4H3,(H,24,26)/p+1