2-[4-[[1-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[1-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanenitrile Openeye Name: 2-[4-[(1-benzylpiperidin-1-ium-1-yl)methyl]phenyl]acetonitrile CAS Name: 2-[4-[[1-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenyl]acetonitrile IUPAC Name: 2-[4-[(1-benzylpiperidin-1-ium-1-yl)methyl]phenyl]acetonitrile Traditional Name: 2-[4-[(1-benzylpiperidin-1-ium-1-yl)methyl]phenyl]acetonitrile Formula: C21H25N2+ MolecularWeight: 305.4366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=CC=C2)CC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC=C2)CC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H25N2/c22-14-13-19-9-11-21(12-10-19)18-23(15-5-2-6-16-23)17-20-7-3-1-4-8-20/h1,3-4,7-12H,2,5-6,13,15-18H2/q+1