[4-[(4-fluorophenyl)methoxy]-3-(2-methylpropyl)-4-pyridin-2-yl-piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(4-fluorophenyl)methoxy]-3-(2-methylpropyl)-4-pyridin-2-yl-piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(4-fluorophenyl)methoxy]-3-isobutyl-4-(2-pyridyl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(4-fluorophenyl)methoxy]-3-(2-methylpropyl)-4-(2-pyridinyl)-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(4-fluorophenyl)methoxy]-3-(2-methylpropyl)-4-pyridin-2-ylpiperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(4-fluorobenzyl)oxy-3-isobutyl-4-(2-pyridyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C27H31FN3O2+ MolecularWeight: 448.552343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CC[N+]1(C2=CC=CC=N2)OCC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1CN(CC[N+]1(C2=CC=CC=N2)OCC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31FN3O2/c1-21(2)18-25-19-30(27(32)23-8-4-3-5-9-23)16-17-31(25,26-10-6-7-15-29-26)33-20-22-11-13-24(28)14-12-22/h3-15,21,25H,16-20H2,1-2H3/q+1