N-(1,3-benzodioxol-5-yl)-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[2-(1-piperidin-1-iumyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-piperidin-1-ium-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]butyramide Formula: C27H31N6O3S+ MolecularWeight: 519.63844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C5=NC(=NN53)CC[NH+]6CCCCC6

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C5=NC(=NN53)CC[NH+]6CCCCC6

InChI

InChI=1S/C27H30N6O3S/c1-2-23(26(34)28-18-10-11-21-22(16-18)36-17-35-21)37-27-29-20-9-5-4-8-19(20)25-30-24(31-33(25)27)12-15-32-13-6-3-7-14-32/h4-5,8-11,16,23H,2-3,6-7,12-15,17H2,1H3,(H,28,34)/p+1