1-[4-(3-chloranylpropyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-(3-chloranylpropyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(3-chloropropyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(3-chloropropyl)phenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(3-chloropropyl)phenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(3-chloropropyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C14H22ClN2O2S+ MolecularWeight: 317.85468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O2S/c1-16-9-11-17(12-10-16)20(18,19)14-6-4-13(5-7-14)3-2-8-15/h4-7H,2-3,8-12H2,1H3/p+1