[(1S)-1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]ammonium Formula: C13H23N3O2S+2 MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C13H21N3O2S/c1-11(14)12-4-3-5-13(10-12)19(17,18)16-8-6-15(2)7-9-16/h3-5,10-11H,6-9,14H2,1-2H3/p+2/t11-/m0/s1