[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-octan-2-yl]-diethyl-azanium

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-octan-2-yl]-diethyl-azanium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)heptyl-diethyl-ammonium CAS Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxooctan-2-yl]-diethylammonium IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxooctan-2-yl]-diethylazanium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)heptyl-diethyl-ammonium Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+](CC)CC

Isomeric SMILES

CCCCCCC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+](CC)CC

InChI

InChI=1S/C20H32N2O3/c1-4-7-8-9-10-17(22(5-2)6-3)20(23)21-16-11-12-18-19(15-16)25-14-13-24-18/h11-12,15,17H,4-10,13-14H2,1-3H3,(H,21,23)/p+1