3-(3-chloranylpropyl)-2-ethyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride

Systemtic Name: 3-(3-chloranylpropyl)-2-ethyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride Openeye Name: 3-(3-chloropropyl)-2-ethyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride CAS Name: 3-(3-chloropropyl)-2-ethyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride IUPAC Name: 3-(3-chloropropyl)-2-ethyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride Traditional Name: 3-(3-chloropropyl)-2-ethyl-1,5-dihydropyrimid[5,4-b]indol-3-ium-4-one chloride Formula: C15H17Cl2N3O MolecularWeight: 326.22098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=O)C2=C(N1)C3=CC=CC=C3N2)CCCCl.[Cl-]

Isomeric SMILES

CCC1=[N+](C(=O)C2=C(N1)C3=CC=CC=C3N2)CCCCl.[Cl-]

InChI

InChI=1S/C15H16ClN3O.ClH/c1-2-12-18-13-10-6-3-4-7-11(10)17-14(13)15(20)19(12)9-5-8-16;/h3-4,6-7H,2,5,8-9H2,1H3,(H,17,20);1H