1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-(quinazolin-4-ylthio)ethanone Formula: C19H20N5OS+ MolecularWeight: 366.46

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C19H19N5OS/c25-18(13-26-19-15-5-1-2-6-16(15)21-14-22-19)24-11-9-23(10-12-24)17-7-3-4-8-20-17/h1-8,14H,9-13H2/p+1