[(2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-3-methyl-butyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC1=CC2=C(C=C1)OCCO2)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCC1=CC2=C(C=C1)OCCO2)[NH3+]

InChI

InChI=1S/C16H24N2O3/c1-11(2)9-13(17)16(19)18-6-5-12-3-4-14-15(10-12)21-8-7-20-14/h3-4,10-11,13H,5-9,17H2,1-2H3,(H,18,19)/p+1/t13-/m0/s1