1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone

Systemtic Name: 1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone Openeye Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone CAS Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-methyl-1-indolyl)ethanone IUPAC Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone Traditional Name: 1-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(2-methylindol-1-yl)ethanone Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C23H26FN3O2/c1-17-13-19-5-3-4-6-21(19)27(17)16-23(28)26-11-9-25(10-12-26)15-18-7-8-22(29-2)20(24)14-18/h3-8,13-14H,9-12,15-16H2,1-2H3/p+1