(2S)-1-(4-phenoxyphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(4-phenoxyphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-phenoxyphenoxy)-3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-phenoxyphenoxy)-3-[4-(2-thiazolyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-phenoxyphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-phenoxyphenoxy)-3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)OC3=CC=CC=C3)O)C4=NC=CS4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)OC3=CC=CC=C3)O)C4=NC=CS4

InChI

InChI=1S/C22H25N3O3S/c26-18(16-24-11-13-25(14-12-24)22-23-10-15-29-22)17-27-19-6-8-21(9-7-19)28-20-4-2-1-3-5-20/h1-10,15,18,26H,11-14,16-17H2/p+1/t18-/m0/s1