8-methyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C24H27N6OS+ MolecularWeight: 447.57578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C[NH+]5CCCCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C[NH+]5CCCCC5

InChI

InChI=1S/C24H26N6OS/c1-17-9-8-12-19-22(17)25-20(26-23(19)31)16-32-24-28-27-21(15-29-13-6-3-7-14-29)30(24)18-10-4-2-5-11-18/h2,4-5,8-12H,3,6-7,13-16H2,1H3,(H,25,26,31)/p+1