N-(3-chloranyl-4-methoxy-phenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-(4-mesylpiperazin-1-ium-1-yl)acetamide Formula: C14H21ClN3O4S+ MolecularWeight: 362.85224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O4S/c1-22-13-4-3-11(9-12(13)15)16-14(19)10-17-5-7-18(8-6-17)23(2,20)21/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)/p+1