7-chloranyl-2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Openeye Name: 7-chloro-2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one CAS Name: 7-chloro-2-(2-isoquinolin-2-iumylmethyl)-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Traditional Name: 7-chloro-2-(isoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Formula: C18H13ClN3O+ MolecularWeight: 322.76832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C18H12ClN3O/c19-14-5-6-15-16(9-14)20-17(21-18(15)23)11-22-8-7-12-3-1-2-4-13(12)10-22/h1-10H,11H2/p+1