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

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-indoxazen-3-yl-ethanone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CC4=NOC5=CC=CC=C54

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CC4=NOC5=CC=CC=C54

InChI

InChI=1S/C22H23N3O3/c26-22(14-19-18-3-1-2-4-21(18)28-23-19)25-10-8-24(9-11-25)15-16-5-6-20-17(13-16)7-12-27-20/h1-6,13H,7-12,14-15H2/p+1