4-methylidene-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinazolin-2-one

Systemtic Name: 4-methylidene-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinazolin-2-one Openeye Name: 4-methylene-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinazolin-2-one CAS Name: 4-methylene-3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-quinazolin-2-one IUPAC Name: 4-methylidene-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-quinazolin-2-one Traditional Name: 4-methylene-3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-quinazolin-2-one Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2NC(=O)N1CC3=CC=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

C=C1C2=CC=CC=C2NC(=O)N1CC3=CC=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O/c1-17-20-11-5-6-12-21(20)23-22(26)25(17)16-19-10-4-3-9-18(19)15-24-13-7-2-8-14-24/h3-6,9-12H,1-2,7-8,13-16H2,(H,23,26)/p+1