2-[(E)-3-oxidanylidene-3-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenecarbonitrile chloride

Systemtic Name: 2-[(E)-3-oxidanylidene-3-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenecarbonitrile chloride Openeye Name: 2-[(E)-3-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]benzonitrile chloride CAS Name: 2-[(E)-3-[4-(2-hydroxy-3-phenoxypropyl)-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzonitrile chloride IUPAC Name: 2-[(E)-3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzonitrile chloride Traditional Name: 2-[(E)-3-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]-3-keto-prop-1-enyl]benzonitrile chloride Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)C=CC3=CC=CC=C3C#N.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)/C=C/C3=CC=CC=C3C#N.[Cl-]

InChI

InChI=1S/C23H25N3O3.ClH/c24-16-20-7-5-4-6-19(20)10-11-23(28)26-14-12-25(13-15-26)17-21(27)18-29-22-8-2-1-3-9-22;/h1-11,21,27H,12-15,17-18H2;1H/b11-10+;