3-chloranyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline

Systemtic Name: 3-chloranyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline Openeye Name: 3-chloro-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline CAS Name: 3-chloro-2-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]aniline IUPAC Name: 3-chloro-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylaniline Traditional Name: [3-chloro-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]amine Formula: C12H19ClN3O2S+ MolecularWeight: 304.81616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)N2CC[NH+](CC2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)N2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C12H18ClN3O2S/c1-9-11(13)7-10(8-12(9)14)19(17,18)16-5-3-15(2)4-6-16/h7-8H,3-6,14H2,1-2H3/p+1