1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N3O2S/c1-3-16(2)17-7-9-18(10-8-17)25(23,24)22-14-12-21(13-15-22)19-6-4-5-11-20-19/h4-11,16H,3,12-15H2,1-2H3/p+1/t16-/m0/s1