1-[4-(2-chloroethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-(2-chloroethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(2-chloroethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(2-chloroethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(2-chloroethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(2-chloroethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C13H20ClN2O2S+ MolecularWeight: 303.8281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2O2S/c1-15-8-10-16(11-9-15)19(17,18)13-4-2-12(3-5-13)6-7-14/h2-5H,6-11H2,1H3/p+1