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

Systemtic Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [2-keto-2-(propylamino)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-3-4-16-14(19)8-17(2)7-11-5-13(18(20)21)6-12-9-22-10-23-15(11)12/h5-6H,3-4,7-10H2,1-2H3,(H,16,19)/p+1