(E)-1-phenyl-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[2-(1-pyrrolidin-1-iumyl)-3H-inden-1-yl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Formula: C22H22NO+ MolecularWeight: 316.41618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2=C(C3=CC=CC=C3C2)C=CC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)C2=C(C3=CC=CC=C3C2)/C=C/C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO/c24-22(17-8-2-1-3-9-17)13-12-20-19-11-5-4-10-18(19)16-21(20)23-14-6-7-15-23/h1-5,8-13H,6-7,14-16H2/p+1/b13-12+