3-fluoranyl-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[2-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H27FN4O/c25-21-10-4-9-20(18-21)24(30)27-23-11-14-26-29(23)22-12-16-28(17-13-22)15-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-11,14,18,22H,5,8,12-13,15-17H2,(H,27,30)/p+1