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

Systemtic Name: (E)-1-(4-chlorophenyl)-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-chlorophenyl)-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one CAS Name: (E)-1-(4-chlorophenyl)-3-[2-(1-pyrrolidin-1-iumyl)-3H-inden-1-yl]-2-propen-1-one IUPAC Name: (E)-1-(4-chlorophenyl)-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-chlorophenyl)-3-(2-pyrrolidin-1-ium-1-yl-3H-inden-1-yl)prop-2-en-1-one Formula: C22H21ClNO+ MolecularWeight: 350.86124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO/c23-18-9-7-16(8-10-18)22(25)12-11-20-19-6-2-1-5-17(19)15-21(20)24-13-3-4-14-24/h1-2,5-12H,3-4,13-15H2/p+1/b12-11+