[(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azanium

Systemtic Name: [(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azanium Openeye Name: [(1S)-2-(diethylamino)-1-methyl-2-oxo-ethyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ammonium CAS Name: [(2S)-1-(diethylamino)-1-oxopropan-2-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ammonium IUPAC Name: [(2S)-1-(diethylamino)-1-oxopropan-2-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azanium Traditional Name: [(1S)-2-(diethylamino)-2-keto-1-methyl-ethyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)[NH2+]C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCN(CC)C(=O)[C@H](C)[NH2+]C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H24N2O3/c1-4-18(5-2)16(19)12(3)17-13-7-8-14-15(11-13)21-10-6-9-20-14/h7-8,11-12,17H,4-6,9-10H2,1-3H3/p+1/t12-/m0/s1