5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxidanylidene-3H-1,2-benzodiazepin-2-ium-3-amine

Systemtic Name: 5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxidanylidene-3H-1,2-benzodiazepin-2-ium-3-amine Openeye Name: 5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,2-benzodiazepin-2-ium-3-amine CAS Name: 5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,2-benzodiazepin-2-ium-3-amine IUPAC Name: 5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,2-benzodiazepin-2-ium-3-amine Traditional Name: [5-(3-azabicyclo[3.2.2]nonan-3-yl)-2-keto-1-methyl-3H-1,2-benzodiazepin-2-ium-3-yl]amine Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC([N+]1=O)N)N3CC4CCC(C3)CC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC([N+]1=O)N)N3CC4CCC(C3)CC4

InChI

InChI=1S/C18H25N4O/c1-20-16-5-3-2-4-15(16)17(10-18(19)22(20)23)21-11-13-6-7-14(12-21)9-8-13/h2-5,10,13-14,18H,6-9,11-12,19H2,1H3/q+1