N-[2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-methylbenzoyl)benzofuran-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(4-methylphenyl)-oxomethyl]-3-benzofuranyl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(4-methylpiperazin-1-ium-1-yl)-N-(2-p-toluoylbenzofuran-3-yl)acetamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C[NH+]4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C[NH+]4CCN(CC4)C

InChI

InChI=1S/C23H25N3O3/c1-16-7-9-17(10-8-16)22(28)23-21(18-5-3-4-6-19(18)29-23)24-20(27)15-26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3,(H,24,27)/p+1