(Z)-3-[2-(2-morpholin-4-ium-4-ylethoxy)phenoxy]-4-phenyl-but-3-en-2-one chloride

Systemtic Name: (Z)-3-[2-(2-morpholin-4-ium-4-ylethoxy)phenoxy]-4-phenyl-but-3-en-2-one chloride Openeye Name: (Z)-3-[2-(2-morpholin-4-ium-4-ylethoxy)phenoxy]-4-phenyl-but-3-en-2-one chloride CAS Name: (Z)-3-[2-[2-(4-morpholin-4-iumyl)ethoxy]phenoxy]-4-phenyl-3-buten-2-one chloride IUPAC Name: (Z)-3-[2-(2-morpholin-4-ium-4-ylethoxy)phenoxy]-4-phenylbut-3-en-2-one chloride Traditional Name: (Z)-3-[2-(2-morpholin-4-ium-4-ylethoxy)phenoxy]-4-phenyl-but-3-en-2-one chloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1)OC2=CC=CC=C2OCC[NH+]3CCOCC3.[Cl-]

Isomeric SMILES

CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCC[NH+]3CCOCC3.[Cl-]

InChI

InChI=1S/C22H25NO4.ClH/c1-18(24)22(17-19-7-3-2-4-8-19)27-21-10-6-5-9-20(21)26-16-13-23-11-14-25-15-12-23;/h2-10,17H,11-16H2,1H3;1H/b22-17-;