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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]ammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-2-keto-1-methyl-2-(propargylamino)ethyl]ammonium Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-3-7-18-16(19)12(2)17-8-6-13-4-5-14-15(11-13)21-10-9-20-14/h1,4-5,11-12,17H,6-10H2,2H3,(H,18,19)/p+1/t12-/m0/s1