(3R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H26FN4O2+ MolecularWeight: 349.423043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N

InChI

InChI=1S/C18H25FN4O2/c19-15-5-1-2-6-16(15)22-8-10-23(11-9-22)17(24)13-21-7-3-4-14(12-21)18(20)25/h1-2,5-6,14H,3-4,7-13H2,(H2,20,25)/p+1/t14-/m1/s1