N-(phenylmethyl)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(phenylmethyl)-2-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C26H27N6O+ MolecularWeight: 439.53218

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O/c33-24(28-17-20-7-2-1-3-8-20)19-31-13-15-32(16-14-31)26-22-10-4-5-11-23(22)29-25(30-26)21-9-6-12-27-18-21/h1-12,18H,13-17,19H2,(H,28,33)/p+1