(1S)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(4-chlorophenyl)ethanol

Systemtic Name: (1S)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(4-chlorophenyl)ethanol Openeye Name: (1S)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(4-chlorophenyl)ethanol CAS Name: (1S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-(4-chlorophenyl)ethanol IUPAC Name: (1S)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(4-chlorophenyl)ethanol Traditional Name: (1S)-2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(4-chlorophenyl)ethanol Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=C(C=C2)Cl)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](C2=CC=C(C=C2)Cl)O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20ClN3OS/c20-15-7-5-14(6-8-15)17(24)13-22-9-11-23(12-10-22)19-21-16-3-1-2-4-18(16)25-19/h1-8,17,24H,9-13H2/p+1/t17-/m1/s1