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

Systemtic Name: cyclooctyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cyclooctyl-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: cyclooctyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]azanium Traditional Name: cyclooctyl-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH2+]C3CCCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH2+]C3CCCCCCC3

InChI

InChI=1S/C19H28N2O3/c1-14(20-15-7-5-3-2-4-6-8-15)19(22)21-16-9-10-17-18(13-16)24-12-11-23-17/h9-10,13-15,20H,2-8,11-12H2,1H3,(H,21,22)/p+1/t14-/m1/s1