4-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3-fluoro-4-methoxy-phenyl)methyl]-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(3-fluoro-4-methoxy-benzyl)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide Formula: C24H35FN4O3+2 MolecularWeight: 446.558103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCCC4)F

InChI

InChI=1S/C24H33FN4O3/c1-31-22-8-7-19(16-20(22)25)18-27-11-13-29(14-12-27)24(30)26-17-21(23-6-5-15-32-23)28-9-3-2-4-10-28/h5-8,15-16,21H,2-4,9-14,17-18H2,1H3,(H,26,30)/p+2/t21-/m1/s1