4-chloranyl-4a,7,8,9,10,11-hexahydroazepino[1,2-a]quinazolin-12-ium-5-one

Systemtic Name: 4-chloranyl-4a,7,8,9,10,11-hexahydroazepino[1,2-a]quinazolin-12-ium-5-one Openeye Name: 4-chloro-4a,7,8,9,10,11-hexahydroazepino[1,2-a]quinazolin-12-ium-5-one CAS Name: 4-chloro-4a,7,8,9,10,11-hexahydroazepino[1,2-a]quinazolin-12-ium-5-one IUPAC Name: 4-chloro-4a,7,8,9,10,11-hexahydroazepino[1,2-a]quinazolin-12-ium-5-one Traditional Name: 4-chloro-4a,7,8,9,10,11-hexahydroazepino[1,2-a]quinazolin-12-ium-5-one Formula: C13H14ClN2O+ MolecularWeight: 249.71606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC(=O)C3C(=[N+]2CC1)C=CC=C3Cl

Isomeric SMILES

C1CCC2=NC(=O)C3C(=[N+]2CC1)C=CC=C3Cl

InChI

InChI=1S/C13H14ClN2O/c14-9-5-4-6-10-12(9)13(17)15-11-7-2-1-3-8-16(10)11/h4-6,12H,1-3,7-8H2/q+1