1-(4-methylphenyl)sulfonyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-[2-(4-isopropylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[2-(4-propan-2-ylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-[2-(4-isopropylphenoxy)ethyl]-4-tosyl-piperazin-1-ium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H30N2O3S/c1-18(2)20-6-8-21(9-7-20)27-17-16-23-12-14-24(15-13-23)28(25,26)22-10-4-19(3)5-11-22/h4-11,18H,12-17H2,1-3H3/p+1