butyl-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-hexan-2-yl]azanium chloride

Systemtic Name: butyl-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-hexan-2-yl]azanium chloride Openeye Name: butyl-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)pentyl]ammonium chloride CAS Name: butyl-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxohexan-2-yl]ammonium chloride IUPAC Name: butyl-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxohexan-2-yl]azanium chloride Traditional Name: butyl-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)pentyl]ammonium chloride Formula: C18H29ClN2O3 MolecularWeight: 356.88746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH2+]CCCC.[Cl-]

Isomeric SMILES

CCCCC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH2+]CCCC.[Cl-]

InChI

InChI=1S/C18H28N2O3.ClH/c1-3-5-7-15(19-10-6-4-2)18(21)20-14-8-9-16-17(13-14)23-12-11-22-16;/h8-9,13,15,19H,3-7,10-12H2,1-2H3,(H,20,21);1H