N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]cyclopropanecarboxamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]cyclopropanecarboxamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]cyclopropanecarboxamide CAS Name: N-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]cyclopropanecarboxamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]cyclopropanecarboxamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]cyclopropanecarboxamide Formula: C21H26FN4O+ MolecularWeight: 369.455743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN4O/c22-18-5-7-19(8-6-18)25-10-12-26(13-11-25)20(17-2-1-9-23-14-17)15-24-21(27)16-3-4-16/h1-2,5-9,14,16,20H,3-4,10-13,15H2,(H,24,27)/p+1