(E)-1-(4-bromophenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromophenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-[2-(1-piperidin-1-iumyl)-3H-inden-1-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-(2-piperidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Formula: C23H23BrNO+ MolecularWeight: 409.33882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=C(C3=CC=CC=C3C2)C=CC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC[NH+](CC1)C2=C(C3=CC=CC=C3C2)/C=C/C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H22BrNO/c24-19-10-8-17(9-11-19)23(26)13-12-21-20-7-3-2-6-18(20)16-22(21)25-14-4-1-5-15-25/h2-3,6-13H,1,4-5,14-16H2/p+1/b13-12+