3-bromanyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzenecarbonitrile

Systemtic Name: 3-bromanyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 3-bromo-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 3-bromo-5-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 3-bromo-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 3-bromo-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzonitrile Formula: C16H22BrN2O2+ MolecularWeight: 354.26208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OCC[NH+]2CCCCC2

InChI

InChI=1S/C16H21BrN2O2/c1-2-20-15-11-13(12-18)10-14(17)16(15)21-9-8-19-6-4-3-5-7-19/h10-11H,2-9H2,1H3/p+1