N-(3-azanyl-1H-isoindol-2-ium-2-yl)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxamide bromide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxamide bromide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide bromide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide bromide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide bromide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxamide bromide Formula: C18H22BrN3O3 MolecularWeight: 408.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N)C)C.[Br-]

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N)C)C.[Br-]

InChI

InChI=1S/C18H21N3O3.BrH/c1-16(2)17(3)8-9-18(16,24-15(17)23)14(22)20-21-10-11-6-4-5-7-12(11)13(21)19;/h4-7,19H,8-10H2,1-3H3,(H,20,22);1H