[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-22(2,3)18-8-5-16(6-9-18)13-24(4)14-21(25)23-12-17-7-10-19-20(11-17)27-15-26-19/h5-11H,12-15H2,1-4H3,(H,23,25)/p+1