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

Systemtic Name: 2-(2-chloranylphenoxy)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-chlorophenoxy)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-chlorophenoxy)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-chlorophenoxy)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-chlorophenoxy)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C21H24ClN2O3+ MolecularWeight: 387.87986

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)COC4=CC=CC=C4Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)COC4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN2O3/c22-18-3-1-2-4-20(18)27-15-21(25)24-10-8-23(9-11-24)14-16-5-6-19-17(13-16)7-12-26-19/h1-6,13H,7-12,14-15H2/p+1