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

Systemtic Name: 3-(2-chloroethyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Openeye Name: 3-(2-chloroethyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one CAS Name: 3-(2-chloroethyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one IUPAC Name: 3-(2-chloroethyl)-2-methyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Traditional Name: 3-(2-chloroethyl)-2-methyl-1,5-dihydropyrimid[5,4-b]indol-3-ium-4-one Formula: C13H13ClN3O+ MolecularWeight: 262.71482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O/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)/p+1