3,3-dimethyl-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-1-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]butan-2-one Formula: C16H26N3O3S2+ MolecularWeight: 372.52594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H25N3O3S2/c1-16(2,3)14(20)12-23-15-6-5-13(11-17-15)24(21,22)19-9-7-18(4)8-10-19/h5-6,11H,7-10,12H2,1-4H3/p+1