N-[2-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[2-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-[(4-fluorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-(4-fluorobenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C24H28FN4O2+ MolecularWeight: 423.503123

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN4O2/c25-20-8-6-19(7-9-20)18-28-15-11-21(12-16-28)29-23(10-14-26-29)27-24(30)13-17-31-22-4-2-1-3-5-22/h1-10,14,21H,11-13,15-18H2,(H,27,30)/p+1