5-methyl-4-[3-[methyl(piperidin-1-yl)amino]propyl]-1-phenyl-4H-1,2,4-triazole-1,4-diium-3-thiolate

Systemtic Name: 5-methyl-4-[3-[methyl(piperidin-1-yl)amino]propyl]-1-phenyl-4H-1,2,4-triazole-1,4-diium-3-thiolate Openeye Name: 5-methyl-4-[3-[methyl(1-piperidyl)amino]propyl]-1-phenyl-4H-1,2,4-triazole-1,4-diium-3-thiolate CAS Name: 5-methyl-4-[3-[methyl(1-piperidinyl)amino]propyl]-1-phenyl-4H-1,2,4-triazole-1,4-diium-3-thiolate IUPAC Name: 5-methyl-4-[3-[methyl(piperidin-1-yl)amino]propyl]-1-phenyl-4H-1,2,4-triazole-1,4-diium-3-thiolate Traditional Name: 5-methyl-4-[3-[methyl(piperidino)amino]propyl]-1-phenyl-4H-1,2,4-triazole-1,4-diium-3-thiolate Formula: C18H28N5S+ MolecularWeight: 346.51342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N=C([NH+]1CCCN(C)N2CCCCC2)[S-])C3=CC=CC=C3

Isomeric SMILES

CC1=[N+](N=C([NH+]1CCCN(C)N2CCCCC2)[S-])C3=CC=CC=C3

InChI

InChI=1S/C18H27N5S/c1-16-22(15-9-12-20(2)21-13-7-4-8-14-21)18(24)19-23(16)17-10-5-3-6-11-17/h3,5-6,10-11H,4,7-9,12-15H2,1-2H3/p+1