3-(8-fluoranyl-5-methyl-4-oxidanylidene-pyrimido[5,4-b]indol-3-yl)propyl-bis(2-hydroxyethyl)azanium

Systemtic Name: 3-(8-fluoranyl-5-methyl-4-oxidanylidene-pyrimido[5,4-b]indol-3-yl)propyl-bis(2-hydroxyethyl)azanium Openeye Name: 3-(8-fluoro-5-methyl-4-oxo-pyrimido[5,4-b]indol-3-yl)propyl-bis(2-hydroxyethyl)ammonium CAS Name: 3-(8-fluoro-5-methyl-4-oxo-3-pyrimido[5,4-b]indolyl)propyl-bis(2-hydroxyethyl)ammonium IUPAC Name: 3-(8-fluoro-5-methyl-4-oxopyrimido[5,4-b]indol-3-yl)propyl-bis(2-hydroxyethyl)azanium Traditional Name: 3-(8-fluoro-4-keto-5-methyl-pyrimid[5,4-b]indol-3-yl)propyl-bis(2-hydroxyethyl)ammonium Formula: C18H24FN4O3+ MolecularWeight: 363.406563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C3=C1C(=O)N(C=N3)CCC[NH+](CCO)CCO

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C3=C1C(=O)N(C=N3)CCC[NH+](CCO)CCO

InChI

InChI=1S/C18H23FN4O3/c1-21-15-4-3-13(19)11-14(15)16-17(21)18(26)23(12-20-16)6-2-5-22(7-9-24)8-10-25/h3-4,11-12,24-25H,2,5-10H2,1H3/p+1