1-[2,4-bis(methylsulfonyl)phenyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-ium CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(2,4-dimesylphenyl)piperazin-1-ium Formula: C19H25N2O4S2+ MolecularWeight: 409.5428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S2/c1-26(22,23)17-8-9-18(19(14-17)27(2,24)25)21-12-10-20(11-13-21)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1