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

Systemtic Name: (5-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-3-methyl-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-3-methyl-2-benzofuranyl)-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-3-methyl-benzofuran-2-yl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23ClN2O3/c1-15-19-13-17(23)5-8-20(19)28-21(15)22(26)25-11-9-24(10-12-25)14-16-3-6-18(27-2)7-4-16/h3-8,13H,9-12,14H2,1-2H3/p+1