2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H26N7OS+ MolecularWeight: 424.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=NC=C4

InChI

InChI=1S/C21H25N7OS/c1-2-11-28-20(17-6-9-22-10-7-17)24-25-21(28)30-16-19(29)27-14-12-26(13-15-27)18-5-3-4-8-23-18/h3-10H,2,11-16H2,1H3/p+1