(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N3CCOCC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N3CCOCC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H28N4O2S/c29-24(28-14-16-30-17-15-28)23(19-6-2-1-3-7-19)27-12-10-26(11-13-27)18-22-25-20-8-4-5-9-21(20)31-22/h1-9,23H,10-18H2/p+1/t23-/m1/s1