1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium Openeye Name: 1-(3-phenylpropyl)-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(3-phenylpropyl)-4-tosyl-piperazin-1-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-18-9-11-20(12-10-18)25(23,24)22-16-14-21(15-17-22)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3/p+1