1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(3-phenoxybenzyl)piperazin-4-ium Formula: C24H27N2O3S+ MolecularWeight: 423.54778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S/c27-30(28,20-21-8-3-1-4-9-21)26-16-14-25(15-17-26)19-22-10-7-13-24(18-22)29-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2/p+1