[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(2-methyl-5-methylsulfonylphenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(5-mesyl-2-methyl-phenyl)methanone Formula: C20H24ClN2O3S+ MolecularWeight: 407.93416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O3S/c1-15-6-7-18(27(2,25)26)13-19(15)20(24)23-10-8-22(9-11-23)14-16-4-3-5-17(21)12-16/h3-7,12-13H,8-11,14H2,1-2H3/p+1