N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C22H25ClN5O2+ MolecularWeight: 426.9192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24ClN5O2/c1-26-10-12-27(13-11-26)20-7-6-16(23)14-19(20)25-21(29)8-9-28-15-24-18-5-3-2-4-17(18)22(28)30/h2-7,14-15H,8-13H2,1H3,(H,25,29)/p+1