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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[[2-(2-ethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H25N3O4/c1-3-16-6-4-5-7-17(16)23-20(25)11-22-21(26)13-24(2)12-15-8-9-18-19(10-15)28-14-27-18/h4-10H,3,11-14H2,1-2H3,(H,22,26)(H,23,25)/p+1