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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH2+]CCC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH2+]CCC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H24N2O3/c1-11(2)18-16(19)12(3)17-7-6-13-4-5-14-15(10-13)21-9-8-20-14/h4-5,10-12,17H,6-9H2,1-3H3,(H,18,19)/p+1/t12-/m0/s1