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

Systemtic Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-(isopropylamino)-2-keto-ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C15H22N3O5+ MolecularWeight: 324.35228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-10(2)16-14(19)7-17(3)6-11-4-13(18(20)21)5-12-8-22-9-23-15(11)12/h4-5,10H,6-9H2,1-3H3,(H,16,19)/p+1