2-(chloromethyl)-3-oxidanyl-4aH-quinazolin-3-ium-4-imine

Systemtic Name: 2-(chloromethyl)-3-oxidanyl-4aH-quinazolin-3-ium-4-imine Openeye Name: 2-(chloromethyl)-3-hydroxy-4aH-quinazolin-3-ium-4-imine CAS Name: 2-(chloromethyl)-3-hydroxy-4aH-quinazolin-3-ium-4-imine IUPAC Name: 2-(chloromethyl)-3-hydroxy-4aH-quinazolin-3-ium-4-imine Traditional Name: [2-(chloromethyl)-3-hydroxy-4aH-quinazolin-3-ium-4-ylidene]amine Formula: C9H9ClN3O+ MolecularWeight: 210.64026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=[N+](C2=N)O)CCl)C=C1

Isomeric SMILES

C1=CC2C(=NC(=[N+](C2=N)O)CCl)C=C1

InChI

InChI=1S/C9H9ClN3O/c10-5-8-12-7-4-2-1-3-6(7)9(11)13(8)14/h1-4,6,11,14H,5H2/q+1