(2R)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

Systemtic Name: (2R)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol Openeye Name: (2R)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-3-(2-thienylmethoxy)propan-2-ol CAS Name: (2R)-1-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-(thiophen-2-ylmethoxy)-2-propanol IUPAC Name: (2R)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol Traditional Name: (2R)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-3-(2-thenyloxy)propan-2-ol Formula: C17H25N3O2S+2 MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CS2)O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COCC2=CC=CS2)O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H23N3O2S/c21-15(13-22-14-16-4-3-11-23-16)12-19-7-9-20(10-8-19)17-5-1-2-6-18-17/h1-6,11,15,21H,7-10,12-14H2/p+2/t15-/m1/s1