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

Systemtic Name: N-prop-2-enyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-allyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-prop-2-enyl-2-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-prop-2-enyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-allyl-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C22H25N6O+ MolecularWeight: 389.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O/c1-2-9-24-20(29)16-27-11-13-28(14-12-27)22-18-7-3-4-8-19(18)25-21(26-22)17-6-5-10-23-15-17/h2-8,10,15H,1,9,11-14,16H2,(H,24,29)/p+1