1-[(4-chlorophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-isopropylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-p-cumenylsulfonyl-piperazin-1-ium Formula: C20H26ClN2O2S+ MolecularWeight: 393.95064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O2S/c1-16(2)18-5-9-20(10-6-18)26(24,25)23-13-11-22(12-14-23)15-17-3-7-19(21)8-4-17/h3-10,16H,11-15H2,1-2H3/p+1