1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(quinazolin-4-ylthio)ethanone Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H22N4OS/c26-20(15-27-21-18-8-4-5-9-19(18)22-16-23-21)25-12-10-24(11-13-25)14-17-6-2-1-3-7-17/h1-9,16H,10-15H2/p+1