1,3-benzodioxol-5-ylmethyl-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: [2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-4-25(5-2)22(27)17-7-6-8-18(12-17)23-21(26)14-24(3)13-16-9-10-19-20(11-16)29-15-28-19/h6-12H,4-5,13-15H2,1-3H3,(H,23,26)/p+1