(2R)-2-methyl-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanenitrile

Systemtic Name: (2R)-2-methyl-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-3-(4-benzylpiperidin-1-ium-1-yl)-2-methyl-propanenitrile CAS Name: (2R)-2-methyl-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanenitrile IUPAC Name: (2R)-3-(4-benzylpiperidin-1-ium-1-yl)-2-methylpropanenitrile Traditional Name: (2R)-3-(4-benzylpiperidin-1-ium-1-yl)-2-methyl-propionitrile Formula: C16H23N2+ MolecularWeight: 243.36722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)CC2=CC=CC=C2)C#N

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H22N2/c1-14(12-17)13-18-9-7-16(8-10-18)11-15-5-3-2-4-6-15/h2-6,14,16H,7-11,13H2,1H3/p+1/t14-/m0/s1