3-bromanyl-5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbonitrile

Systemtic Name: 3-bromanyl-5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 3-bromo-5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 3-bromo-5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 3-bromo-5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 3-bromo-5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)benzonitrile Formula: C14H17BrClN2O+ MolecularWeight: 344.65458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2C#N)Cl)Br

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2C#N)Cl)Br

InChI

InChI=1S/C14H16BrClN2O/c15-13-9-12(16)8-11(10-17)14(13)19-7-6-18-4-2-1-3-5-18/h8-9H,1-7H2/p+1