[3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butyl]azanium chloride

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butyl]azanium chloride Openeye Name: [3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxo-butyl]ammonium chloride CAS Name: [3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]ammonium chloride IUPAC Name: [3-(1,3-benzodioxol-5-yl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride Traditional Name: [3-(1,3-benzodioxol-5-yl)-3-carbethoxy-4-ethoxy-4-keto-butyl]ammonium chloride Formula: C16H22ClNO6 MolecularWeight: 359.80198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC[NH3+])(C1=CC2=C(C=C1)OCO2)C(=O)OCC.[Cl-]

Isomeric SMILES

CCOC(=O)C(CC[NH3+])(C1=CC2=C(C=C1)OCO2)C(=O)OCC.[Cl-]

InChI

InChI=1S/C16H21NO6.ClH/c1-3-20-14(18)16(7-8-17,15(19)21-4-2)11-5-6-12-13(9-11)23-10-22-12;/h5-6,9H,3-4,7-8,10,17H2,1-2H3;1H