2-chloranyl-4-[(3S)-piperidin-1-ium-3-yl]oxy-benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(3S)-piperidin-1-ium-3-yl]oxy-benzenecarbonitrile Openeye Name: 2-chloro-4-[(3S)-piperidin-1-ium-3-yl]oxy-benzonitrile CAS Name: 2-chloro-4-[[(3S)-3-piperidin-1-iumyl]oxy]benzonitrile IUPAC Name: 2-chloro-4-[(3S)-piperidin-1-ium-3-yl]oxybenzonitrile Traditional Name: 2-chloro-4-[(3S)-piperidin-1-ium-3-yl]oxy-benzonitrile Formula: C12H14ClN2O+ MolecularWeight: 237.70536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O/c13-12-6-10(4-3-9(12)7-14)16-11-2-1-5-15-8-11/h3-4,6,11,15H,1-2,5,8H2/p+1/t11-/m0/s1