(2R,3S,5R,6R)-3,5-diphenyl-2,6-dithiophen-2-yl-piperidin-1-ium-4-one

Systemtic Name: (2R,3S,5R,6R)-3,5-diphenyl-2,6-dithiophen-2-yl-piperidin-1-ium-4-one Openeye Name: (2R,3S,5R,6R)-3,5-diphenyl-2,6-bis(2-thienyl)piperidin-1-ium-4-one CAS Name: (2R,3S,5R,6R)-3,5-diphenyl-2,6-dithiophen-2-yl-4-piperidin-1-iumone IUPAC Name: (2R,3S,5R,6R)-3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-1-ium-4-one Traditional Name: (2R,3S,5R,6R)-3,5-diphenyl-2,6-bis(2-thienyl)piperidin-1-ium-4-one Formula: C25H22NOS2+ MolecularWeight: 416.57828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C([NH2+]C(C(C2=O)C3=CC=CC=C3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@@H]([NH2+][C@H]([C@H](C2=O)C3=CC=CC=C3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C25H21NOS2/c27-25-21(17-9-3-1-4-10-17)23(19-13-7-15-28-19)26-24(20-14-8-16-29-20)22(25)18-11-5-2-6-12-18/h1-16,21-24,26H/p+1/t21-,22+,23-,24-/m0/s1