3-chloranyl-6,7,8,9,10,12a-hexahydroazepino[2,1-b]quinazolin-11-ium-12-one

Systemtic Name: 3-chloranyl-6,7,8,9,10,12a-hexahydroazepino[2,1-b]quinazolin-11-ium-12-one Openeye Name: 3-chloro-6,7,8,9,10,12a-hexahydroazepino[2,1-b]quinazolin-11-ium-12-one CAS Name: 3-chloro-6,7,8,9,10,12a-hexahydroazepino[2,1-b]quinazolin-11-ium-12-one IUPAC Name: 3-chloro-6,7,8,9,10,12a-hexahydroazepino[2,1-b]quinazolin-11-ium-12-one Traditional Name: 3-chloro-6,7,8,9,10,12a-hexahydroazepino[2,1-b]quinazolin-11-ium-12-one Formula: C13H14ClN2O+ MolecularWeight: 249.71606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)C(=O)C3C=CC(=CC3=N2)Cl

Isomeric SMILES

C1CCC2=[N+](CC1)C(=O)C3C=CC(=CC3=N2)Cl

InChI

InChI=1S/C13H14ClN2O/c14-9-5-6-10-11(8-9)15-12-4-2-1-3-7-16(12)13(10)17/h5-6,8,10H,1-4,7H2/q+1