(2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol CAS Name: (2S)-1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-(3-methyl-4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol Formula: C23H32FN2O2+ MolecularWeight: 387.510783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3F)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3F)O)C(C)C

InChI

InChI=1S/C23H31FN2O2/c1-17(2)21-9-8-20(14-18(21)3)28-16-19(27)15-25-10-12-26(13-11-25)23-7-5-4-6-22(23)24/h4-9,14,17,19,27H,10-13,15-16H2,1-3H3/p+1/t19-/m0/s1