5-methyl-2-(piperidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoline-1-thione

Systemtic Name: 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoline-1-thione Openeye Name: 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoline-1-thione CAS Name: 5-methyl-2-(1-piperidin-1-iumylmethyl)-[1,2,4]triazolo[4,3-a]quinoline-1-thione IUPAC Name: 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoline-1-thione Traditional Name: 5-methyl-2-(piperidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoline-1-thione Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(C(=S)N2C3=CC=CC=C13)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=NN(C(=S)N2C3=CC=CC=C13)C[NH+]4CCCCC4

InChI

InChI=1S/C17H20N4S/c1-13-11-16-18-20(12-19-9-5-2-6-10-19)17(22)21(16)15-8-4-3-7-14(13)15/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3/p+1