(Z)-3-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenyl-but-3-en-2-one chloride

Systemtic Name: (Z)-3-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenyl-but-3-en-2-one chloride Openeye Name: (Z)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenyl-but-3-en-2-one chloride CAS Name: (Z)-3-[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenoxy]-4-phenyl-3-buten-2-one chloride IUPAC Name: (Z)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenylbut-3-en-2-one chloride Traditional Name: (Z)-3-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenoxy]-4-phenyl-but-3-en-2-one chloride Formula: C23H27Cl2NO3 MolecularWeight: 436.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)OCC[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CC(=O)/C(=C/C1=CC=CC=C1)/OC2=C(C=CC(=C2)Cl)OCC[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C23H26ClNO3.ClH/c1-18(26)22(16-19-8-4-2-5-9-19)28-23-17-20(24)10-11-21(23)27-15-14-25-12-6-3-7-13-25;/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3;1H/b22-16-;