4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-1,4-thiazinan-4-ium 1,1-dioxide

Systemtic Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-1,4-thiazinan-4-ium 1,1-dioxide Openeye Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-1,4-thiazinan-4-ium 1,1-dioxide CAS Name: 4-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]-1,4-thiazinan-4-ium 1,1-dioxide IUPAC Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-1,4-thiazinan-4-ium 1,1-dioxide Traditional Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)benzyl]-1,4-thiazinan-4-ium 1,1-dioxide Formula: C16H27N3O2S+2 MolecularWeight: 325.46948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C[NH+]3CCS(=O)(=O)CC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C[NH+]3CCS(=O)(=O)CC3

InChI

InChI=1S/C16H25N3O2S/c1-17-6-8-19(9-7-17)16-4-2-15(3-5-16)14-18-10-12-22(20,21)13-11-18/h2-5H,6-14H2,1H3/p+2