1,2-bis(1,3-benzodioxol-5-yl)-2-(butylamino)ethanone chloride

Systemtic Name: 1,2-bis(1,3-benzodioxol-5-yl)-2-(butylamino)ethanone chloride Openeye Name: 1,2-bis(1,3-benzodioxol-5-yl)-2-(butylamino)ethanone chloride CAS Name: 1,2-bis(1,3-benzodioxol-5-yl)-2-(butylamino)ethanone chloride IUPAC Name: 1,2-bis(1,3-benzodioxol-5-yl)-2-(butylamino)ethanone chloride Traditional Name: 1,2-bis(1,3-benzodioxol-5-yl)-2-(butylamino)ethanone chloride Formula: C20H21ClNO5- MolecularWeight: 390.83744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=CC2=C(C=C1)OCO2)C(=O)C3=CC4=C(C=C3)OCO4.[Cl-]

Isomeric SMILES

CCCCNC(C1=CC2=C(C=C1)OCO2)C(=O)C3=CC4=C(C=C3)OCO4.[Cl-]

InChI

InChI=1S/C20H21NO5.ClH/c1-2-3-8-21-19(13-4-6-15-17(9-13)25-11-23-15)20(22)14-5-7-16-18(10-14)26-12-24-16;/h4-7,9-10,19,21H,2-3,8,11-12H2,1H3;1H/p-1