(2-azanyl-2-oxidanylidene-ethyl)-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-isopropyl-ammonium Formula: C14H20ClN2O3+ MolecularWeight: 299.7732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=C2C(=CC(=C1)Cl)COCO2)CC(=O)N

Isomeric SMILES

CC(C)[NH+](CC1=C2C(=CC(=C1)Cl)COCO2)CC(=O)N

InChI

InChI=1S/C14H19ClN2O3/c1-9(2)17(6-13(16)18)5-10-3-12(15)4-11-7-19-8-20-14(10)11/h3-4,9H,5-8H2,1-2H3,(H2,16,18)/p+1