5-[(E)-4-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)but-2-enoyl]oxypentyl-diethyl-azanium chloride

Systemtic Name: 5-[(E)-4-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)but-2-enoyl]oxypentyl-diethyl-azanium chloride Openeye Name: 5-[(E)-4-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)but-2-enoyl]oxypentyl-diethyl-ammonium chloride CAS Name: 5-[(E)-4-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-1-oxobut-2-enoxy]pentyl-diethylammonium chloride IUPAC Name: 5-[(E)-4-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)but-2-enoyl]oxypentyl-diethylazanium chloride Traditional Name: 5-[(E)-4-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)but-2-enoyl]oxypentyl-diethyl-ammonium chloride Formula: C20H36ClNO4 MolecularWeight: 389.95714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCCCOC(=O)C=CCC1CCC2C(C1)OCO2.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCCCOC(=O)/C=C/CC1CCC2C(C1)OCO2.[Cl-]

InChI

InChI=1S/C20H35NO4.ClH/c1-3-21(4-2)13-6-5-7-14-23-20(22)10-8-9-17-11-12-18-19(15-17)25-16-24-18;/h8,10,17-19H,3-7,9,11-16H2,1-2H3;1H/b10-8+;