1-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione

Systemtic Name: 1-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione Openeye Name: 1-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione CAS Name: 1-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-pyridinethione IUPAC Name: 1-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-2-thione Traditional Name: 1-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]pyridine-2-thione Formula: C19H26N3O2S2+ MolecularWeight: 392.55864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C=CC=CC3=S

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C=CC=CC3=S

InChI

InChI=1S/C19H25N3O2S2/c1-16(2)17-6-8-18(9-7-17)26(23,24)22-13-11-20(12-14-22)15-21-10-4-3-5-19(21)25/h3-10,16H,11-15H2,1-2H3/p+1