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

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

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)F)N=N2)CC(=O)N4CCC5=CC=CC=C5C4

InChI

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