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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium Traditional Name: [2-keto-2-(2-p-cumenylethylamino)ethyl]-methyl-piperonyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-16(2)19-7-4-17(5-8-19)10-11-23-22(25)14-24(3)13-18-6-9-20-21(12-18)27-15-26-20/h4-9,12,16H,10-11,13-15H2,1-3H3,(H,23,25)/p+1