2-[[3-methyl-3-(phenylmethyl)-3-azoniabicyclo[3.2.1]octan-8-yl]methyl]-2-phenyl-butanenitrile

Systemtic Name: 2-[[3-methyl-3-(phenylmethyl)-3-azoniabicyclo[3.2.1]octan-8-yl]methyl]-2-phenyl-butanenitrile Openeye Name: 2-[(3-benzyl-3-methyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl]-2-phenyl-butanenitrile CAS Name: 2-[[3-methyl-3-(phenylmethyl)-3-azoniabicyclo[3.2.1]octan-8-yl]methyl]-2-phenylbutanenitrile IUPAC Name: 2-[(3-benzyl-3-methyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl]-2-phenylbutanenitrile Traditional Name: 2-[(3-benzyl-3-methyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl]-2-phenyl-butyronitrile Formula: C26H33N2+ MolecularWeight: 373.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1C2CCC1C[N+](C2)(C)CC3=CC=CC=C3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CCC(CC1C2CCC1C[N+](C2)(C)CC3=CC=CC=C3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H33N2/c1-3-26(20-27,24-12-8-5-9-13-24)16-25-22-14-15-23(25)19-28(2,18-22)17-21-10-6-4-7-11-21/h4-13,22-23,25H,3,14-19H2,1-2H3/q+1