(2R)-2-(2-chloranyl-6-piperidin-1-yl-phenyl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(2-chloranyl-6-piperidin-1-yl-phenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-[2-chloro-6-(1-piperidyl)phenyl]-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-[2-chloro-6-(1-piperidinyl)phenyl]-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(2-chloro-6-piperidin-1-ylphenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(2-chloro-6-piperidino-phenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C18H25ClN3+ MolecularWeight: 318.8642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C#N)C2=C(C=CC=C2Cl)N3CCCCC3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C#N)C2=C(C=CC=C2Cl)N3CCCCC3

InChI

InChI=1S/C18H24ClN3/c19-15-8-7-9-16(21-10-3-1-4-11-21)18(15)17(14-20)22-12-5-2-6-13-22/h7-9,17H,1-6,10-13H2/p+1/t17-/m0/s1