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

Systemtic Name: 2-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline Openeye Name: 2-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline CAS Name: 2-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]aniline IUPAC Name: 2-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylaniline Traditional Name: [2-methyl-4-(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(=C1)S(=O)(=O)N2CC[NH+](CC2)C)N

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)N

InChI

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