4-(3-piperidin-1-ium-1-ylpropoxy)benzenecarbonitrile

Systemtic Name: 4-(3-piperidin-1-ium-1-ylpropoxy)benzenecarbonitrile Openeye Name: 4-(3-piperidin-1-ium-1-ylpropoxy)benzonitrile CAS Name: 4-[3-(1-piperidin-1-iumyl)propoxy]benzonitrile IUPAC Name: 4-(3-piperidin-1-ium-1-ylpropoxy)benzonitrile Traditional Name: 4-(3-piperidin-1-ium-1-ylpropoxy)benzonitrile Formula: C15H21N2O+ MolecularWeight: 245.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H20N2O/c16-13-14-5-7-15(8-6-14)18-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-12H2/p+1