8-methyl-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C22H23N5O2/c1-14-5-4-6-16-20(14)24-19(25-21(16)28)13-26-11-9-15(10-12-26)27-18-8-3-2-7-17(18)23-22(27)29/h2-8,15H,9-13H2,1H3,(H,23,29)(H,24,25,28)/p+1