1-methyl-4-(4-pentoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(4-pentoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(4-pentoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-(4-pentoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(4-pentoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-amoxyphenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C16H27N2O3S+ MolecularWeight: 327.46218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

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