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

Systemtic Name: 3-(3-chloranylpropyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride Openeye Name: 3-(3-chloropropyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride CAS Name: 3-(3-chloropropyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride IUPAC Name: 3-(3-chloropropyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride Traditional Name: 3-(3-chloropropyl)-2-methyl-1,5-dihydropyrimid[5,4-b]indol-3-ium-4-one chloride Formula: C14H15Cl2N3O MolecularWeight: 312.1944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=C(N1)C3=CC=CC=C3N2)CCCCl.[Cl-]

Isomeric SMILES

CC1=[N+](C(=O)C2=C(N1)C3=CC=CC=C3N2)CCCCl.[Cl-]

InChI

InChI=1S/C14H14ClN3O.ClH/c1-9-16-12-10-5-2-3-6-11(10)17-13(12)14(19)18(9)8-4-7-15;/h2-3,5-6H,4,7-8H2,1H3,(H,17,19);1H