4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzonitrile Formula: C14H19N2+ MolecularWeight: 215.31406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H18N2/c1-12-3-2-8-16(10-12)11-14-6-4-13(9-15)5-7-14/h4-7,12H,2-3,8,10-11H2,1H3/p+1/t12-/m1/s1