2-[2-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-yl]acetamide Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N5O2/c27-24(32)17-31-25(28-23-11-4-3-10-22(23)26(31)33)18-30-14-12-29(13-15-30)16-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2,(H2,27,32)/p+1