N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H29FN4O2+2 MolecularWeight: 388.478963

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27FN4O2/c1-3-25(15-17-7-8-19(28-2)18(22)14-17)21(27)16-24-10-12-26(13-11-24)20-6-4-5-9-23-20/h4-9,14H,3,10-13,15-16H2,1-2H3/p+2