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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-aniline Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-aniline CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-methylaniline IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylaniline Traditional Name: [4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-phenyl]amine Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2S/c1-3-15-6-8-16(9-7-15)19(17,18)12-4-5-13(14)11(2)10-12/h4-5,10H,3,6-9,14H2,1-2H3/p+1