[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenyl)pyridin-1-ium-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenyl)pyridin-1-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenyl)pyridin-1-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [2-[4-(2-fluorophenyl)-1-piperazinyl]-6-(2-methoxyphenyl)-3-pyridin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenyl)pyridin-1-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[4-(2-fluorophenyl)piperazino]-6-(2-methoxyphenyl)pyridin-1-ium-3-yl]-pyrrolidino-methanone Formula: C27H30FN4O2+ MolecularWeight: 461.551103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=[NH+]C(=C(C=C2)C(=O)N3CCCC3)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

COC1=CC=CC=C1C2=[NH+]C(=C(C=C2)C(=O)N3CCCC3)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H29FN4O2/c1-34-25-11-5-2-8-20(25)23-13-12-21(27(33)32-14-6-7-15-32)26(29-23)31-18-16-30(17-19-31)24-10-4-3-9-22(24)28/h2-5,8-13H,6-7,14-19H2,1H3/p+1