4-[(3S)-piperidin-1-ium-3-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(3S)-piperidin-1-ium-3-yl]oxybenzenecarbonitrile Openeye Name: 4-[(3S)-piperidin-1-ium-3-yl]oxybenzonitrile CAS Name: 4-[[(3S)-3-piperidin-1-iumyl]oxy]benzonitrile IUPAC Name: 4-[(3S)-piperidin-1-ium-3-yl]oxybenzonitrile Traditional Name: 4-[(3S)-piperidin-1-ium-3-yl]oxybenzonitrile Formula: C12H15N2O+ MolecularWeight: 203.2603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H14N2O/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12/h3-6,12,14H,1-2,7,9H2/p+1/t12-/m0/s1