(3R)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(2-fluoro-4-methoxy-phenyl)methyl]-3-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-[2-oxo-2-(1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(2-fluoro-4-methoxy-benzyl)-3-(2-keto-2-piperidino-ethyl)piperazin-4-ium-2-one Formula: C19H27FN3O3+ MolecularWeight: 364.434383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCCCC3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCCC3)F

InChI

InChI=1S/C19H26FN3O3/c1-26-15-6-5-14(16(20)11-15)13-23-10-7-21-19(25)17(23)12-18(24)22-8-3-2-4-9-22/h5-6,11,17H,2-4,7-10,12-13H2,1H3,(H,21,25)/p+1/t17-/m1/s1