2-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline

Systemtic Name: 2-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline Openeye Name: 2-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline CAS Name: 2-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]aniline IUPAC Name: 2-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylaniline Traditional Name: [2-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]amine Formula: C12H20N3O2S+ MolecularWeight: 270.3711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CC[NH+](CC2)C)N

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CC[NH+](CC2)C)N

InChI

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