1-(5-chloranylthiophen-2-yl)sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(3-methylbut-2-enyl)piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-(3-methylbut-2-enyl)piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(3-methylbut-2-enyl)piperazin-4-ium Formula: C13H20ClN2O2S2+ MolecularWeight: 335.8931

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl)C

Isomeric SMILES

CC(=CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl)C

InChI

InChI=1S/C13H19ClN2O2S2/c1-11(2)5-6-15-7-9-16(10-8-15)20(17,18)13-4-3-12(14)19-13/h3-5H,6-10H2,1-2H3/p+1