4-[(3S)-3-methylpiperidin-1-ium-1-yl]-2,2-diphenyl-butanenitrile

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-ium-1-yl]-2,2-diphenyl-butanenitrile Openeye Name: 4-[(3S)-3-methylpiperidin-1-ium-1-yl]-2,2-diphenyl-butanenitrile CAS Name: 4-[(3S)-3-methyl-1-piperidin-1-iumyl]-2,2-diphenylbutanenitrile IUPAC Name: 4-[(3S)-3-methylpiperidin-1-ium-1-yl]-2,2-diphenylbutanenitrile Traditional Name: 4-[(3S)-3-methylpiperidin-1-ium-1-yl]-2,2-diphenyl-butyronitrile Formula: C22H27N2+ MolecularWeight: 319.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2/c1-19-9-8-15-24(17-19)16-14-22(18-23,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,19H,8-9,14-17H2,1H3/p+1/t19-/m0/s1