(E)-4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]but-3-en-2-one

Systemtic Name: (E)-4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]but-3-en-2-one Openeye Name: (E)-4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]but-3-en-2-one CAS Name: (E)-4-[4-[3-(1-piperidin-1-iumyl)propoxy]phenyl]-3-buten-2-one IUPAC Name: (E)-4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]but-3-en-2-one Traditional Name: (E)-4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]but-3-en-2-one Formula: C18H26NO2+ MolecularWeight: 288.40454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=C(C=C1)OCCC[NH+]2CCCCC2

Isomeric SMILES

CC(=O)/C=C/C1=CC=C(C=C1)OCCC[NH+]2CCCCC2

InChI

InChI=1S/C18H25NO2/c1-16(20)6-7-17-8-10-18(11-9-17)21-15-5-14-19-12-3-2-4-13-19/h6-11H,2-5,12-15H2,1H3/p+1/b7-6+