(E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(3-bromophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(3-bromophenyl)prop-2-en-1-one Openeye Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(3-bromophenyl)prop-2-en-1-one CAS Name: (E)-3-[2-(1-azepan-1-iumyl)-3H-inden-1-yl]-1-(3-bromophenyl)-2-propen-1-one IUPAC Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(3-bromophenyl)prop-2-en-1-one Traditional Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(3-bromophenyl)prop-2-en-1-one Formula: C24H25BrNO+ MolecularWeight: 423.3654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2=C(C3=CC=CC=C3C2)C=CC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC[NH+](CC1)C2=C(C3=CC=CC=C3C2)/C=C/C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H24BrNO/c25-20-10-7-9-19(16-20)24(27)13-12-22-21-11-4-3-8-18(21)17-23(22)26-14-5-1-2-6-15-26/h3-4,7-13,16H,1-2,5-6,14-15,17H2/p+1/b13-12+