2-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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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(C=CC(=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-15-3-6-17(7-4-15)23-20(26)14-24-9-11-25(12-10-24)21(27)18-13-16(22)5-8-19(18)28-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)/p+1