2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)amino]ethyl-diisopropyl-ammonium Formula: C18H25FN5+ MolecularWeight: 330.423003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC1=NC=NC2=C1NC3=C2C=C(C=C3)F)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC1=NC=NC2=C1NC3=C2C=C(C=C3)F)C(C)C

InChI

InChI=1S/C18H24FN5/c1-11(2)24(12(3)4)8-7-20-18-17-16(21-10-22-18)14-9-13(19)5-6-15(14)23-17/h5-6,9-12,23H,7-8H2,1-4H3,(H,20,21,22)/p+1