2-[4-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C14H22BrN2O4S+ MolecularWeight: 394.30448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)CCO)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)CCO)OC

InChI

InChI=1S/C14H21BrN2O4S/c1-11-9-13(21-2)14(10-12(11)15)22(19,20)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3/p+1