2-(benzotriazol-1-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H23N5O2/c27-21(15-26-19-4-2-1-3-18(19)22-23-26)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+1