1-(2-piperidin-1-ium-1-ylethylsulfanyl)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethylsulfanyl)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[2-(1-piperidin-1-iumyl)ethylthio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(2-piperidin-1-ium-1-ylethylsulfanyl)-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC[NH+]4CCCCC4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC[NH+]4CCCCC4

InChI

InChI=1S/C19H23N5OS/c1-2-10-23-17(25)15-8-4-5-9-16(15)24-18(23)20-21-19(24)26-14-13-22-11-6-3-7-12-22/h2,4-5,8-9H,1,3,6-7,10-14H2/p+1