1-(4-tert-butylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C19H27N2O2S2+ MolecularWeight: 379.55988

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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=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C19H26N2O2S2/c1-19(2,3)16-6-8-18(9-7-16)25(22,23)21-12-10-20(11-13-21)15-17-5-4-14-24-17/h4-9,14H,10-13,15H2,1-3H3/p+1