1-(thiophen-2-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(thiophen-2-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(2-thienylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(thiophen-2-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(thiophen-2-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-mesitylsulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C18H25N2O2S2+ MolecularWeight: 365.5333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3)C

InChI

InChI=1S/C18H24N2O2S2/c1-14-11-15(2)18(16(3)12-14)24(21,22)20-8-6-19(7-9-20)13-17-5-4-10-23-17/h4-5,10-12H,6-9,13H2,1-3H3/p+1