[(4R)-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-2,3-dihydrochromen-4-yl]methylazanium

Systemtic Name: [(4R)-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-2,3-dihydrochromen-4-yl]methylazanium Openeye Name: [(4R)-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-chroman-4-yl]methylammonium CAS Name: [(4R)-4-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]methylammonium IUPAC Name: [(4R)-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-2,3-dihydrochromen-4-yl]methylazanium Traditional Name: [(4R)-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-chroman-4-yl]methylammonium Formula: C16H26FN3O+2 MolecularWeight: 295.395543

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2(CCOC3=C2C=C(C=C3)F)C[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@@]2(CCOC3=C2C=C(C=C3)F)C[NH3+]

InChI

InChI=1S/C16H24FN3O/c1-2-19-6-8-20(9-7-19)16(12-18)5-10-21-15-4-3-13(17)11-14(15)16/h3-4,11H,2,5-10,12,18H2,1H3/p+2/t16-/m0/s1