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

Systemtic Name: 2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzonitrile CAS Name: 2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzonitrile Formula: C20H23N2+ MolecularWeight: 291.41002

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=CC=C3C#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N2/c21-15-19-8-4-5-9-20(19)16-22-12-10-18(11-13-22)14-17-6-2-1-3-7-17/h1-9,18H,10-14,16H2/p+1