[(4R,5R,6S)-3-cyano-6-oxidanyl-4-phenyl-5-pyridin-1-ium-1-yl-6-thiophen-2-yl-piperidin-2-yl]cyanamide

Systemtic Name: [(4R,5R,6S)-3-cyano-6-oxidanyl-4-phenyl-5-pyridin-1-ium-1-yl-6-thiophen-2-yl-piperidin-2-yl]cyanamide Openeye Name: [(4R,5R,6S)-3-cyano-6-hydroxy-4-phenyl-5-pyridin-1-ium-1-yl-6-(2-thienyl)-2-piperidyl]cyanamide CAS Name: [(4R,5R,6S)-3-cyano-6-hydroxy-4-phenyl-5-(1-pyridin-1-iumyl)-6-thiophen-2-yl-2-piperidinyl]cyanamide IUPAC Name: [(4R,5R,6S)-3-cyano-6-hydroxy-4-phenyl-5-pyridin-1-ium-1-yl-6-thiophen-2-ylpiperidin-2-yl]cyanamide Traditional Name: [(4R,5R,6S)-3-cyano-6-hydroxy-4-phenyl-5-pyridin-1-ium-1-yl-6-(2-thienyl)-2-piperidyl]cyanamide Formula: C22H20N5OS+ MolecularWeight: 402.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(NC(C2[N+]3=CC=CC=C3)(C4=CC=CS4)O)NC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H]([C@@](NC(C2C#N)NC#N)(C3=CC=CS3)O)[N+]4=CC=CC=C4

InChI

InChI=1S/C22H20N5OS/c23-14-17-19(16-8-3-1-4-9-16)20(27-11-5-2-6-12-27)22(28,18-10-7-13-29-18)26-21(17)25-15-24/h1-13,17,19-21,25-26,28H/q+1/t17?,19-,20+,21?,22+/m0/s1