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

Systemtic Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-cyclopentylpropyl)-2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C22H33FN3O3+ MolecularWeight: 406.514123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCC3CCCC3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCC3CCCC3)F

InChI

InChI=1S/C22H32FN3O3/c1-29-18-9-8-17(19(23)13-18)15-26-12-11-25-22(28)20(26)14-21(27)24-10-4-7-16-5-2-3-6-16/h8-9,13,16,20H,2-7,10-12,14-15H2,1H3,(H,24,27)(H,25,28)/p+1/t20-/m1/s1