2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Formula: C25H28N3OS+ MolecularWeight: 418.57432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC(=O)N4CCC(=CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC(=O)N4CCC(=CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3OS/c29-24(27-16-13-20(14-17-27)19-8-2-1-3-9-19)18-28-15-7-6-11-22(28)25-26-21-10-4-5-12-23(21)30-25/h1-5,8-10,12-13,22H,6-7,11,14-18H2/p+1/t22-/m1/s1