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

Systemtic Name: 4-fluoranyl-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 4-fluoro-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]benzamide CAS Name: 4-fluoro-N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzamide Traditional Name: 4-fluoro-N-[(2S)-2-(4-phenylpiperazin-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=C(C=C2)F)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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