1-(4-tert-butylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-p-anisyl-piperazin-4-ium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-22(2,3)19-7-11-21(12-8-19)28(25,26)24-15-13-23(14-16-24)17-18-5-9-20(27-4)10-6-18/h5-12H,13-17H2,1-4H3/p+1