1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C19H27N2O2S2+ MolecularWeight: 379.55988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3)C)C

InChI

InChI=1S/C19H26N2O2S2/c1-14-12-15(2)17(4)19(16(14)3)25(22,23)21-9-7-20(8-10-21)13-18-6-5-11-24-18/h5-6,11-12H,7-10,13H2,1-4H3/p+1