N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-indan-5-yl-acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]-N-indan-5-yl-acetamide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3)F

InChI

InChI=1S/C23H28FN3O2/c1-29-22-8-5-17(13-21(22)24)15-26-9-11-27(12-10-26)16-23(28)25-20-7-6-18-3-2-4-19(18)14-20/h5-8,13-14H,2-4,9-12,15-16H2,1H3,(H,25,28)/p+1