2-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-15-5-4-6-19(16(15)2)24-21(27)14-25-9-11-26(12-10-25)22(28)18-13-17(23)7-8-20(18)29-3/h4-8,13H,9-12,14H2,1-3H3,(H,24,27)/p+1