3-chloranyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbonitrile Openeye Name: 3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile CAS Name: 3-chloro-5-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Traditional Name: 3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzonitrile Formula: C15H20ClN2O2+ MolecularWeight: 295.7845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Cl)OCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Cl)OCC[NH+]2CCCC2

InChI

InChI=1S/C15H19ClN2O2/c1-2-19-14-10-12(11-17)9-13(16)15(14)20-8-7-18-5-3-4-6-18/h9-10H,2-8H2,1H3/p+1