1-(4-phenoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-phenoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-phenoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-phenoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-phenoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(4-phenoxyphenyl)sulfonyl-piperazin-1-ium Formula: C23H25N2O3S+ MolecularWeight: 409.5212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O3S/c26-29(27,23-13-11-22(12-14-23)28-21-9-5-2-6-10-21)25-17-15-24(16-18-25)19-20-7-3-1-4-8-20/h1-14H,15-19H2/p+1