(2R)-2-[(R)-naphthalen-1-yl(piperidin-1-ium-1-yl)methyl]-2-phenyl-butanenitrile

Systemtic Name: (2R)-2-[(R)-naphthalen-1-yl(piperidin-1-ium-1-yl)methyl]-2-phenyl-butanenitrile Openeye Name: (2R)-2-[(R)-1-naphthyl(piperidin-1-ium-1-yl)methyl]-2-phenyl-butanenitrile CAS Name: (2R)-2-[(R)-1-naphthalenyl(1-piperidin-1-iumyl)methyl]-2-phenylbutanenitrile IUPAC Name: (2R)-2-[(R)-naphthalen-1-yl(piperidin-1-ium-1-yl)methyl]-2-phenylbutanenitrile Traditional Name: (2R)-2-[(R)-1-naphthyl(piperidin-1-ium-1-yl)methyl]-2-phenyl-butyronitrile Formula: C26H29N2+ MolecularWeight: 369.52186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1=CC=CC=C1)C(C2=CC=CC3=CC=CC=C32)[NH+]4CCCCC4

Isomeric SMILES

CC[C@@](C#N)(C1=CC=CC=C1)[C@@H](C2=CC=CC3=CC=CC=C32)[NH+]4CCCCC4

InChI

InChI=1S/C26H28N2/c1-2-26(20-27,22-14-5-3-6-15-22)25(28-18-9-4-10-19-28)24-17-11-13-21-12-7-8-16-23(21)24/h3,5-8,11-17,25H,2,4,9-10,18-19H2,1H3/p+1/t25-,26-/m1/s1