(5-chloranyl-1-benzofuran-2-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chlorobenzofuran-2-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-1-benzofuran-2-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chlorobenzofuran-2-yl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C22H24ClN2O4+ MolecularWeight: 415.88996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl)OC

InChI

InChI=1S/C22H23ClN2O4/c1-27-19-5-3-15(11-20(19)28-2)14-24-7-9-25(10-8-24)22(26)21-13-16-12-17(23)4-6-18(16)29-21/h3-6,11-13H,7-10,14H2,1-2H3/p+1