2-[1,3-benzodioxol-5-ylcarbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzodioxol-5-ylcarbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzodioxole-5-carbonyl-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzodioxole-5-carbonyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-piperonyloyl-amino]ethyl]ammonium Formula: C20H27N4O5+ MolecularWeight: 403.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC(=O)NC1=NOC(=C1)C)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC)CCN(CC(=O)NC1=NOC(=C1)C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H26N4O5/c1-4-23(5-2)8-9-24(12-19(25)21-18-10-14(3)29-22-18)20(26)15-6-7-16-17(11-15)28-13-27-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,21,22,25)/p+1