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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(4-m-anisoylpiperazin-1-ium-1-yl)acetamide Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24ClN3O4/c1-28-17-5-3-4-15(12-17)21(27)25-10-8-24(9-11-25)14-20(26)23-18-13-16(22)6-7-19(18)29-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)/p+1