1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanone Formula: C22H25FN5O+ MolecularWeight: 394.465203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)F)N=N4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)F)N=N4

InChI

InChI=1S/C22H24FN5O/c23-17-7-8-21-19(14-17)24-25-28(21)18-9-12-26(13-10-18)15-22(29)27-11-3-5-16-4-1-2-6-20(16)27/h1-2,4,6-8,14,18H,3,5,9-13,15H2/p+1