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

Systemtic Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-2-(4-chlorophenyl)-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C25H24ClN6O+ MolecularWeight: 459.95066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN6O/c26-19-9-7-17(8-10-19)22(23(27)33)31-12-14-32(15-13-31)25-20-5-1-2-6-21(20)29-24(30-25)18-4-3-11-28-16-18/h1-11,16,22H,12-15H2,(H2,27,33)/p+1/t22-/m1/s1