2-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2-thiazolyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C16H18N5OS+ MolecularWeight: 328.41202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=NC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=NC=CS4

InChI

InChI=1S/C16H17N5OS/c22-15-12-3-1-2-4-13(12)18-14(19-15)11-20-6-8-21(9-7-20)16-17-5-10-23-16/h1-5,10H,6-9,11H2,(H,18,19,22)/p+1