3-methyl-4-[3-[methyl(piperidin-1-yl)amino]propyl]-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=S)NN1C2=CC=CC=C2)CCCN(C)N3CCCCC3

Isomeric SMILES

CC1=[N+](C(=S)NN1C2=CC=CC=C2)CCCN(C)N3CCCCC3

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