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

Systemtic Name: 3-(2-chloroethyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride Openeye Name: 3-(2-chloroethyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride CAS Name: 3-(2-chloroethyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride IUPAC Name: 3-(2-chloroethyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one chloride Traditional Name: 3-(2-chloroethyl)-2-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O.ClH/c1-8-15-11-9-4-2-3-5-10(9)16-12(11)13(18)17(8)7-6-14;/h2-5H,6-7H2,1H3,(H,16,18);1H