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

Systemtic Name: N,N-dimethyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C21H25N6O+ MolecularWeight: 377.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6O/c1-25(2)19(28)15-26-10-12-27(13-11-26)21-17-7-3-4-8-18(17)23-20(24-21)16-6-5-9-22-14-16/h3-9,14H,10-13,15H2,1-2H3/p+1