2-[4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H23ClN5O2+ MolecularWeight: 376.86052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C18H22ClN5O2/c19-12-1-4-14-15(9-12)21-16(22-18(14)26)10-23-5-7-24(8-6-23)11-17(25)20-13-2-3-13/h1,4,9,13H,2-3,5-8,10-11H2,(H,20,25)(H,21,22,26)/p+1