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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N3O2S/c1-16(2)15-17-6-8-18(9-7-17)25(23,24)22-13-11-21(12-14-22)19-5-3-4-10-20-19/h3-10,16H,11-15H2,1-2H3/p+1