(2R)-2-phenyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2R)-2-phenyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-2-phenyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-2-phenyl-2-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-2-phenyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-2-phenyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C25H25N6O+ MolecularWeight: 425.5056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H24N6O/c26-23(32)22(18-7-2-1-3-8-18)30-13-15-31(16-14-30)25-20-10-4-5-11-21(20)28-24(29-25)19-9-6-12-27-17-19/h1-12,17,22H,13-16H2,(H2,26,32)/p+1/t22-/m1/s1