(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-phenyl-ethanol Openeye Name: (1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-phenyl-ethanol CAS Name: (1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-1-phenylethanol IUPAC Name: (1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-phenylethanol Traditional Name: (1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-phenyl-ethanol Formula: C20H25N3OS+2 MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=NC3=CC=CC=C3S2)CC(C4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=NC3=CC=CC=C3S2)C[C@@H](C4=CC=CC=C4)O

InChI

InChI=1S/C20H23N3OS/c24-18(16-6-2-1-3-7-16)14-22-10-12-23(13-11-22)15-20-21-17-8-4-5-9-19(17)25-20/h1-9,18,24H,10-15H2/p+2/t18-/m0/s1