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

Systemtic Name: 3-(2-chloroethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Openeye Name: 3-(2-chloroethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one CAS Name: 3-(2-chloroethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one IUPAC Name: 3-(2-chloroethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Traditional Name: 3-(2-chloroethyl)-1,5-dihydropyrimid[5,4-b]indol-3-ium-4-one Formula: C12H11ClN3O+ MolecularWeight: 248.68824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)[N+](=CN3)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)[N+](=CN3)CCCl

InChI

InChI=1S/C12H10ClN3O/c13-5-6-16-7-14-10-8-3-1-2-4-9(8)15-11(10)12(16)17/h1-4,7H,5-6H2,(H,15,17)/p+1