5-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfonyl-aniline

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfonyl-aniline Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfonyl-aniline CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-methylsulfonylaniline IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfonylaniline Traditional Name: [2-mesyl-5-(4-methylpiperazin-4-ium-1-yl)phenyl]amine Formula: C12H20N3O2S+ MolecularWeight: 270.3711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O2S/c1-14-5-7-15(8-6-14)10-3-4-12(11(13)9-10)18(2,16)17/h3-4,9H,5-8,13H2,1-2H3/p+1