4,5-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline

Systemtic Name: 4,5-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline Openeye Name: 4,5-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-aniline CAS Name: 4,5-dimethyl-2-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]aniline IUPAC Name: 4,5-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)sulfonylaniline Traditional Name: [4,5-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]amine Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CC[NH+](CC2)C)N

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CC[NH+](CC2)C)N

InChI

InChI=1S/C13H21N3O2S/c1-10-8-12(14)13(9-11(10)2)19(17,18)16-6-4-15(3)5-7-16/h8-9H,4-7,14H2,1-3H3/p+1