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

Systemtic Name: N-(2-methylpropyl)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isobutyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-isobutyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O/c1-17(2)14-25-21(30)16-28-10-12-29(13-11-28)23-19-7-3-4-8-20(19)26-22(27-23)18-6-5-9-24-15-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,30)/p+1