(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C16H24ClN2O3+ MolecularWeight: 327.82636

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC2=C(C(=C1)Cl)OCCO2)CC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CC1=CC2=C(C(=C1)Cl)OCCO2)CC(=O)NC(C)C

InChI

InChI=1S/C16H23ClN2O3/c1-4-19(10-15(20)18-11(2)3)9-12-7-13(17)16-14(8-12)21-5-6-22-16/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/p+1