(E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(4-chlorophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(4-chlorophenyl)prop-2-en-1-one Openeye Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(4-chlorophenyl)prop-2-en-1-one CAS Name: (E)-3-[2-(1-azepan-1-iumyl)-3H-inden-1-yl]-1-(4-chlorophenyl)-2-propen-1-one IUPAC Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(4-chlorophenyl)prop-2-en-1-one Traditional Name: (E)-3-[2-(azepan-1-ium-1-yl)-3H-inden-1-yl]-1-(4-chlorophenyl)prop-2-en-1-one Formula: C24H25ClNO+ MolecularWeight: 378.9144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClNO/c25-20-11-9-18(10-12-20)24(27)14-13-22-21-8-4-3-7-19(21)17-23(22)26-15-5-1-2-6-16-26/h3-4,7-14H,1-2,5-6,15-17H2/p+1/b14-13+