2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C24H30FN6O2+ MolecularWeight: 453.532403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)F)N=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)F)N=N4

InChI

InChI=1S/C24H29FN6O2/c1-33-23-5-3-2-4-22(23)29-12-14-30(15-13-29)24(32)17-28-10-8-19(9-11-28)31-21-7-6-18(25)16-20(21)26-27-31/h2-7,16,19H,8-15,17H2,1H3/p+1