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

Systemtic Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-hexan-2-yl]-methyl-azanium Openeye Name: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)pentyl]-methyl-ammonium CAS Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxohexan-2-yl]-methylammonium IUPAC Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxohexan-2-yl]-methylazanium Traditional Name: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)pentyl]-methyl-ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH2+]C

Isomeric SMILES

CCCC[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH2+]C

InChI

InChI=1S/C15H22N2O3/c1-3-4-5-12(16-2)15(18)17-11-6-7-13-14(10-11)20-9-8-19-13/h6-7,10,12,16H,3-5,8-9H2,1-2H3,(H,17,18)/p+1/t12-/m1/s1