N-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(4-methylpiperazin-4-ium-1-yl)aniline

Systemtic Name: N-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(4-methylpiperazin-4-ium-1-yl)aniline Openeye Name: N-[[(3R)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl]-2-(4-methylpiperazin-4-ium-1-yl)aniline CAS Name: N-[[(3R)-3-(3-fluorophenyl)-3-oxolanyl]methyl]-2-(4-methyl-1-piperazin-4-iumyl)aniline IUPAC Name: N-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-2-(4-methylpiperazin-4-ium-1-yl)aniline Traditional Name: [(3R)-3-(3-fluorophenyl)tetrahydrofuran-3-yl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]amine Formula: C22H29FN3O+ MolecularWeight: 370.483563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NCC3(CCOC3)C4=CC(=CC=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC[C@@]3(CCOC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H28FN3O/c1-25-10-12-26(13-11-25)21-8-3-2-7-20(21)24-16-22(9-14-27-17-22)18-5-4-6-19(23)15-18/h2-8,15,24H,9-14,16-17H2,1H3/p+1/t22-/m1/s1