3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[(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(=C3)C#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=CC(=C3)C#N

InChI

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