2-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pyridin-1-ium-1-yl]-N,N-diethyl-ethanamine

Systemtic Name: 2-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pyridin-1-ium-1-yl]-N,N-diethyl-ethanamine Openeye Name: 2-[4-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]pyridin-1-ium-1-yl]-N,N-diethyl-ethanamine CAS Name: 2-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-pyridin-1-iumyl]-N,N-diethylethanamine IUPAC Name: 2-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pyridin-1-ium-1-yl]-N,N-diethylethanamine Traditional Name: 2-[4-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]pyridin-1-ium-1-yl]ethyl-diethyl-amine Formula: C20H25N2O2+ MolecularWeight: 325.4247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=CC=C(C=C1)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)CC[N+]1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25N2O2/c1-3-21(4-2)13-14-22-11-9-17(10-12-22)5-6-18-7-8-19-20(15-18)24-16-23-19/h5-12,15H,3-4,13-14,16H2,1-2H3/q+1/b6-5+