N-[(4-methylphenyl)methyl]-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanamide Openeye Name: 2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[2-[2-(1-piperidin-1-iumyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide Traditional Name: N-(4-methylbenzyl)-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]acetamide Formula: C26H31N6OS+ MolecularWeight: 475.62894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CC[NH+]5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CC[NH+]5CCCCC5

InChI

InChI=1S/C26H30N6OS/c1-19-9-11-20(12-10-19)17-27-24(33)18-34-26-28-22-8-4-3-7-21(22)25-29-23(30-32(25)26)13-16-31-14-5-2-6-15-31/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,27,33)/p+1