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

Systemtic Name: 1-(4-butoxy-3-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-butoxy-3-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(4-butoxy-3-methylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-butoxy-3-methylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-butoxy-3-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C16H27N2O3S+ MolecularWeight: 327.46218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3S/c1-4-5-12-21-16-7-6-15(13-14(16)2)22(19,20)18-10-8-17(3)9-11-18/h6-7,13H,4-5,8-12H2,1-3H3/p+1