4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile chloride

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile chloride Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzonitrile chloride CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]benzonitrile chloride IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzonitrile chloride Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzonitrile chloride Formula: C14H18ClN3O2 MolecularWeight: 295.76462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC=C(C=C2)C#N.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC=C(C=C2)C#N.[Cl-]

InChI

InChI=1S/C14H17N3O2.ClH/c15-11-12-1-3-13(4-2-12)14(19)17-7-5-16(6-8-17)9-10-18;/h1-4,18H,5-10H2;1H