2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)acetamide Formula: C21H27FN4O3+2 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25FN4O3/c1-29-19-8-7-17(22)13-16(19)14-25-9-11-26(12-10-25)15-20(27)24-21(28)23-18-5-3-2-4-6-18/h2-8,13H,9-12,14-15H2,1H3,(H2,23,24,27,28)/p+2