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

Systemtic Name: 1-(3-butoxy-4-chloranyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(3-butoxy-4-chloro-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(3-butoxy-4-chlorophenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(3-butoxy-4-chlorophenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(3-butoxy-4-chloro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C15H24ClN2O3S+ MolecularWeight: 347.88066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)Cl

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C15H23ClN2O3S/c1-3-4-11-21-15-12-13(5-6-14(15)16)22(19,20)18-9-7-17(2)8-10-18/h5-6,12H,3-4,7-11H2,1-2H3/p+1