2-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C24H25N4O+ MolecularWeight: 385.4815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H24N4O/c29-24-21-10-3-4-11-22(21)25-23(26-24)17-28-14-12-27(13-15-28)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2,(H,25,26,29)/p+1