2-bromanyl-4-[[2-(phenylmethyl)-1,2,3,4-tetrazol-2-ium-2-yl]methyl]-2,3-dihydroinden-1-one

Systemtic Name: 2-bromanyl-4-[[2-(phenylmethyl)-1,2,3,4-tetrazol-2-ium-2-yl]methyl]-2,3-dihydroinden-1-one Openeye Name: 4-[(2-benzyltetrazol-2-ium-2-yl)methyl]-2-bromo-indan-1-one CAS Name: 2-bromo-4-[[2-(phenylmethyl)-2-tetrazol-2-iumyl]methyl]-2,3-dihydroinden-1-one IUPAC Name: 4-[(2-benzyltetrazol-2-ium-2-yl)methyl]-2-bromo-2,3-dihydroinden-1-one Traditional Name: 4-[(2-benzyltetrazol-2-ium-2-yl)methyl]-2-bromo-indan-1-one Formula: C18H16BrN4O+ MolecularWeight: 384.24984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C1C(=CC=C2)C[N+]3(N=CN=N3)CC4=CC=CC=C4)Br

Isomeric SMILES

C1C(C(=O)C2=C1C(=CC=C2)C[N+]3(N=CN=N3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C18H16BrN4O/c19-17-9-16-14(7-4-8-15(16)18(17)24)11-23(21-12-20-22-23)10-13-5-2-1-3-6-13/h1-8,12,17H,9-11H2/q+1