1,3-benzodioxol-5-ylmethyl-[2-[(4-ethanoyl-3-ethoxycarbonyl-5-methyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(4-ethanoyl-3-ethoxycarbonyl-5-methyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[(4-acetyl-3-ethoxycarbonyl-5-methyl-2-furyl)amino]-2-oxo-ethyl]-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [2-[(4-acetyl-3-ethoxycarbonyl-5-methyl-2-furanyl)amino]-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl]-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [2-[(4-acetyl-3-carbethoxy-5-methyl-2-furyl)amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H25N2O7+ MolecularWeight: 417.4324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O7/c1-5-27-21(26)19-18(12(2)24)13(3)30-20(19)22-17(25)10-23(4)9-14-6-7-15-16(8-14)29-11-28-15/h6-8H,5,9-11H2,1-4H3,(H,22,25)/p+1