3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C21H25N5O2+2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H23N5O2/c27-21-18-3-1-2-4-19(18)22-23-26(21)15-25-10-8-24(9-11-25)14-16-5-6-20-17(13-16)7-12-28-20/h1-6,13H,7-12,14-15H2/p+2