1-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-5-fluoranyl-benzotriazole

Systemtic Name: 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-5-fluoranyl-benzotriazole Openeye Name: 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-5-fluoro-benzotriazole CAS Name: 1-[1-[(2,5-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-5-fluorobenzotriazole IUPAC Name: 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-5-fluorobenzotriazole Traditional Name: 1-[1-(2,5-dimethylbenzyl)piperidin-1-ium-4-yl]-5-fluoro-benzotriazole Formula: C20H24FN4+ MolecularWeight: 339.429763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

InChI

InChI=1S/C20H23FN4/c1-14-3-4-15(2)16(11-14)13-24-9-7-18(8-10-24)25-20-6-5-17(21)12-19(20)22-23-25/h3-6,11-12,18H,7-10,13H2,1-2H3/p+1