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

Systemtic Name: 3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[(3S)-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=CC(=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2/c1-12-4-3-7-16(10-12)11-14-6-2-5-13(8-14)9-15/h2,5-6,8,12H,3-4,7,10-11H2,1H3/p+1/t12-/m0/s1