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

Systemtic Name: [3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methylazanium Openeye Name: [3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methylammonium CAS Name: [3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methylammonium IUPAC Name: [3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methylazanium Traditional Name: [3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzyl]ammonium Formula: C12H21N3O2S+2 MolecularWeight: 271.37904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C12H19N3O2S/c1-14-5-7-15(8-6-14)18(16,17)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8,10,13H2,1H3/p+2