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

Systemtic Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide CAS Name: N-[(2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]benzamide Traditional Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide Formula: C24H26FN4O+ MolecularWeight: 405.487843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C2=CC=CC=C2)C3=CN=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNC(=O)C2=CC=CC=C2)C3=CN=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN4O/c25-21-8-10-22(11-9-21)28-13-15-29(16-14-28)23(20-7-4-12-26-17-20)18-27-24(30)19-5-2-1-3-6-19/h1-12,17,23H,13-16,18H2,(H,27,30)/p+1/t23-/m1/s1