1-(4-chloranyl-3-ethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(4-chloranyl-3-ethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-chloro-3-ethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(4-chloro-3-ethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-chloro-3-ethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-chloro-3-ethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C13H20ClN2O3S+ MolecularWeight: 319.8275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C13H19ClN2O3S/c1-3-19-13-10-11(4-5-12(13)14)20(17,18)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3/p+1