4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenyl-butanenitrile

Systemtic Name: 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenyl-butanenitrile Openeye Name: 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenyl-butanenitrile CAS Name: 4-(1-methyl-1-piperidin-1-iumyl)-2,2-diphenylbutanenitrile IUPAC Name: 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanenitrile Traditional Name: 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenyl-butyronitrile Formula: C22H27N2+ MolecularWeight: 319.46318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCCCC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N2/c1-24(16-9-4-10-17-24)18-15-22(19-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3/q+1