(1R)-2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1R)-2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1R)-2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1R)-2-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-phenylethanol IUPAC Name: (1R)-2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1R)-2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-phenyl-ethanol Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=C2)O)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](C2=CC=CC=C2)O)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN3OS/c20-15-6-7-16-18(12-15)25-19(21-16)23-10-8-22(9-11-23)13-17(24)14-4-2-1-3-5-14/h1-7,12,17,24H,8-11,13H2/p+1/t17-/m0/s1