3-(3-chloranylpropyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride

Systemtic Name: 3-(3-chloranylpropyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride Openeye Name: 3-(3-chloropropyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride CAS Name: 3-(3-chloropropyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride IUPAC Name: 3-(3-chloropropyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride Traditional Name: 3-(3-chloropropyl)-1,5-dihydropyrimid[5,4-b]indol-3-ium-4-one chloride Formula: C13H13Cl2N3O MolecularWeight: 298.16782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)[N+](=CN3)CCCCl.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)[N+](=CN3)CCCCl.[Cl-]

InChI

InChI=1S/C13H12ClN3O.ClH/c14-6-3-7-17-8-15-11-9-4-1-2-5-10(9)16-12(11)13(17)18;/h1-2,4-5,8H,3,6-7H2,(H,16,18);1H