(E)-1-[5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-1-ium-3-yl]hex-1-en-3-one

Systemtic Name: (E)-1-[5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-1-ium-3-yl]hex-1-en-3-one Openeye Name: (E)-1-[5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-1-ium-3-yl]hex-1-en-3-one CAS Name: (E)-1-[5-[(1-methyl-2-pyrrolidinyl)methoxy]-3-pyridin-1-iumyl]-1-hexen-3-one IUPAC Name: (E)-1-[5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-1-ium-3-yl]hex-1-en-3-one Traditional Name: (E)-1-[5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-1-ium-3-yl]hex-1-en-3-one Formula: C17H25N2O2+ MolecularWeight: 289.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C=CC1=CC(=C[NH+]=C1)OCC2CCCN2C

Isomeric SMILES

CCCC(=O)/C=C/C1=CC(=C[NH+]=C1)OCC2CCCN2C

InChI

InChI=1S/C17H24N2O2/c1-3-5-16(20)8-7-14-10-17(12-18-11-14)21-13-15-6-4-9-19(15)2/h7-8,10-12,15H,3-6,9,13H2,1-2H3/p+1/b8-7+