2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Formula: C20H27FN5O3+ MolecularWeight: 404.458483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCN3C=CC=N3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCN3C=CC=N3)F

InChI

InChI=1S/C20H26FN5O3/c1-29-16-5-4-15(17(21)12-16)14-25-11-8-23-20(28)18(25)13-19(27)22-6-2-9-26-10-3-7-24-26/h3-5,7,10,12,18H,2,6,8-9,11,13-14H2,1H3,(H,22,27)(H,23,28)/p+1/t18-/m1/s1