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

Systemtic Name: 2-(2,3-dihydroindol-1-yl)-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-indolin-1-yl-ethanone CAS Name: 2-(2,3-dihydroindol-1-yl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2,3-dihydroindol-1-yl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-indolin-1-yl-ethanone Formula: C22H27FN3O2+ MolecularWeight: 384.467083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3CCC4=CC=CC=C43)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3CCC4=CC=CC=C43)F

InChI

InChI=1S/C22H26FN3O2/c1-28-21-7-6-17(14-19(21)23)15-24-10-12-25(13-11-24)22(27)16-26-9-8-18-4-2-3-5-20(18)26/h2-7,14H,8-13,15-16H2,1H3/p+1