(2S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol Openeye Name: (2S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-3-(2-thienylmethoxy)propan-2-ol CAS Name: (2S)-1-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-3-(thiophen-2-ylmethoxy)-2-propanol IUPAC Name: (2S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol Traditional Name: (2S)-1-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-3-(2-thenyloxy)propan-2-ol Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CS2)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CS2)O)C3=NC=CC=N3

InChI

InChI=1S/C16H22N4O2S/c21-14(12-22-13-15-3-1-10-23-15)11-19-6-8-20(9-7-19)16-17-4-2-5-18-16/h1-5,10,14,21H,6-9,11-13H2/p+1/t14-/m0/s1