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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-phenoxybenzyl)-4-tosyl-piperazin-1-ium Formula: C24H27N2O3S+ MolecularWeight: 423.54778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S/c1-20-10-12-24(13-11-20)30(27,28)26-16-14-25(15-17-26)19-21-6-5-9-23(18-21)29-22-7-3-2-4-8-22/h2-13,18H,14-17,19H2,1H3/p+1