1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-4-ium

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-4-ium Openeye Name: 1-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-4-ium CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-4-ium IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-4-ium Traditional Name: 1-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-4-ium Formula: C14H23N2O2S+ MolecularWeight: 283.40962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C14H22N2O2S/c1-3-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15-9-11-16/h4-7,12,15H,3,8-11H2,1-2H3/p+1/t12-/m0/s1