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

Systemtic Name: 2-(3-chloranylphenoxy)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-chlorophenoxy)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-chlorophenoxy)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-chlorophenoxy)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-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=C4)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)COC4=CC(=CC=C4)Cl

InChI

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