[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-hexan-2-yl]-methyl-azanium

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-hexan-2-yl]-methyl-azanium Openeye Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)pentyl-methyl-ammonium CAS Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxohexan-2-yl]-methylammonium IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxohexan-2-yl]-methylazanium Traditional Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)pentyl-methyl-ammonium Formula: C14H21N2O3+ MolecularWeight: 265.32814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH2+]C

Isomeric SMILES

CCCCC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH2+]C

InChI

InChI=1S/C14H20N2O3/c1-3-4-5-11(15-2)14(17)16-10-6-7-12-13(8-10)19-9-18-12/h6-8,11,15H,3-5,9H2,1-2H3,(H,16,17)/p+1