2-[4-(4-chloranyl-3-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(4-chloranyl-3-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(4-chloro-3-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(4-chloro-3-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(4-chloro-3-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(4-chloro-3-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C14H22ClN2O4S+ MolecularWeight: 349.85348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O4S/c1-2-21-14-11-12(3-4-13(14)15)22(19,20)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,2,5-10H2,1H3/p+1