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

Systemtic Name: 3-(2-chloroethyl)-2-ethyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Openeye Name: 3-(2-chloroethyl)-2-ethyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one CAS Name: 3-(2-chloroethyl)-2-ethyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one IUPAC Name: 3-(2-chloroethyl)-2-ethyl-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Traditional Name: 3-(2-chloroethyl)-2-ethyl-1,5-dihydropyrimid[5,4-b]indol-3-ium-4-one Formula: C14H15ClN3O+ MolecularWeight: 276.7414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=O)C2=C(N1)C3=CC=CC=C3N2)CCCl

Isomeric SMILES

CCC1=[N+](C(=O)C2=C(N1)C3=CC=CC=C3N2)CCCl

InChI

InChI=1S/C14H14ClN3O/c1-2-11-17-12-9-5-3-4-6-10(9)16-13(12)14(19)18(11)8-7-15/h3-6H,2,7-8H2,1H3,(H,16,19)/p+1