2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(7-chloranylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(7-chloro-4-quinazolinyl)-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C17H23ClN5O+ MolecularWeight: 348.85042

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=NC=NC3=C2C=CC(=C3)Cl

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=NC=NC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C17H22ClN5O/c1-2-5-19-16(24)11-22-6-8-23(9-7-22)17-14-4-3-13(18)10-15(14)20-12-21-17/h3-4,10,12H,2,5-9,11H2,1H3,(H,19,24)/p+1