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

Systemtic Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[2-(1-azepan-1-iumyl)-3H-inden-1-yl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-phenyl-prop-2-en-1-one Formula: C24H26NO+ MolecularWeight: 344.46934

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO/c26-24(19-10-4-3-5-11-19)15-14-22-21-13-7-6-12-20(21)18-23(22)25-16-8-1-2-9-17-25/h3-7,10-15H,1-2,8-9,16-18H2/p+1/b15-14+