N-(phenylmethyl)-2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(phenylmethyl)-2-[4-(2-phenyl-4-quinazolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C27H28N5O+ MolecularWeight: 438.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O/c33-25(28-19-21-9-3-1-4-10-21)20-31-15-17-32(18-16-31)27-23-13-7-8-14-24(23)29-26(30-27)22-11-5-2-6-12-22/h1-14H,15-20H2,(H,28,33)/p+1