N-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide chloride

Systemtic Name: N-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide chloride Openeye Name: N-[4-[4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide chloride CAS Name: N-[4-[[4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide chloride IUPAC Name: N-[4-[4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide chloride Traditional Name: N-[4-[4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide chloride Formula: C19H23Cl2N3O3S MolecularWeight: 444.37522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3S.ClH/c1-14-3-4-16(20)13-19(14)22-9-11-23(12-10-22)27(25,26)18-7-5-17(6-8-18)21-15(2)24;/h3-8,13H,9-12H2,1-2H3,(H,21,24);1H