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

Systemtic Name: 1,3-benzothiazol-6-yl-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H19N3OS/c1-21-9-10-22(17(12-21)14-5-3-2-4-6-14)19(23)15-7-8-16-18(11-15)24-13-20-16/h2-8,11,13,17H,9-10,12H2,1H3/p+1/t17-/m0/s1