1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propan-1-one

Systemtic Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propan-1-one Openeye Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propan-1-one CAS Name: 1-[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-propanone IUPAC Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propan-1-one Traditional Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propan-1-one Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-3-14(17)12-5-4-6-13(11-12)20(18,19)16-9-7-15(2)8-10-16/h4-6,11H,3,7-10H2,1-2H3/p+1