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

Systemtic Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-(3-methoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-methoxyphenoxy)propan-2-ol Formula: C20H26FN2O3+ MolecularWeight: 361.430443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

InChI

InChI=1S/C20H25FN2O3/c1-25-17-5-4-6-18(13-17)26-15-16(24)14-22-9-11-23(12-10-22)20-8-3-2-7-19(20)21/h2-8,13,16,24H,9-12,14-15H2,1H3/p+1/t16-/m0/s1