4-butyl-2-(piperidin-1-ium-1-ylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-butyl-2-(piperidin-1-ium-1-ylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-butyl-2-(piperidin-1-ium-1-ylmethyl)-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-butyl-2-(1-piperidin-1-iumylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-butyl-2-(piperidin-1-ium-1-ylmethyl)-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-butyl-2-(piperidin-1-ium-1-ylmethyl)-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=S)C[NH+]4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=S)C[NH+]4CCCCC4

InChI

InChI=1S/C19H25N5OS/c1-2-3-13-22-17(25)15-9-5-6-10-16(15)24-18(22)20-23(19(24)26)14-21-11-7-4-8-12-21/h5-6,9-10H,2-4,7-8,11-14H2,1H3/p+1