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

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Traditional Name: 2-[(3S)-3-(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(C[NH+](C1)CC(=O)N2CCC(=CC2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N2CCC(=CC2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N3OS/c29-24(28-15-12-20(13-16-28)19-7-2-1-3-8-19)18-27-14-6-9-21(17-27)25-26-22-10-4-5-11-23(22)30-25/h1-5,7-8,10-12,21H,6,9,13-18H2/p+1/t21-/m0/s1