(3S)-3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxamide

Systemtic Name: (3S)-3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxamide Openeye Name: (3S)-3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide CAS Name: (3S)-3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide Traditional Name: (3S)-3-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide Formula: C19H28FN4O3+ MolecularWeight: 379.449023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3CCCN(C3)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN(C3)C(=O)N

InChI

InChI=1S/C19H27FN4O3/c1-27-17-5-4-16(20)11-15(17)12-22-7-9-23(10-8-22)18(25)14-3-2-6-24(13-14)19(21)26/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H2,21,26)/p+1/t14-/m0/s1