4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-carbonitrile Formula: C16H20N5+ MolecularWeight: 282.3635

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C=NN=C3C#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C=NN=C3C#N

InChI

InChI=1S/C16H19N5/c17-11-16-19-18-12-21(16)13-20-8-6-15(7-9-20)10-14-4-2-1-3-5-14/h1-5,12,15H,6-10,13H2/p+1