(3R)-N-(4-fluorophenyl)-3-methyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

Systemtic Name: (3R)-N-(4-fluorophenyl)-3-methyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Openeye Name: (3R)-N-(4-fluorophenyl)-3-methyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide CAS Name: (3R)-N-(4-fluorophenyl)-3-methyl-5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanamide IUPAC Name: (3R)-N-(4-fluorophenyl)-3-methyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Traditional Name: (3R)-N-(4-fluorophenyl)-5-keto-3-methyl-5-(4-pyridin-1-ium-2-ylpiperazino)valeramide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)F)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](CC(=O)NC1=CC=C(C=C1)F)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H25FN4O2/c1-16(14-20(27)24-18-7-5-17(22)6-8-18)15-21(28)26-12-10-25(11-13-26)19-4-2-3-9-23-19/h2-9,16H,10-15H2,1H3,(H,24,27)/p+1/t16-/m1/s1