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

Systemtic Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C20H29N2O2S2+ MolecularWeight: 393.58646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S2/c1-14-15(2)17(4)20(18(5)16(14)3)26(23,24)22-10-8-21(9-11-22)13-19-7-6-12-25-19/h6-7,12H,8-11,13H2,1-5H3/p+1