2-[4-[(7-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(7-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(7-chloro-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(7-chloro-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(7-chloro-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H25ClN3O3+ MolecularWeight: 426.9159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C(=CC=C4)Cl)C

InChI

InChI=1S/C23H24ClN3O3/c1-15-6-8-17(9-7-15)25-20(28)14-26-10-12-27(13-11-26)23(29)21-16(2)18-4-3-5-19(24)22(18)30-21/h3-9H,10-14H2,1-2H3,(H,25,28)/p+1