[4-(3-bromanylpropoxy)phenyl]-(2-propylindolizin-4-ium-4-yl)methanone

Systemtic Name: [4-(3-bromanylpropoxy)phenyl]-(2-propylindolizin-4-ium-4-yl)methanone Openeye Name: [4-(3-bromopropoxy)phenyl]-(2-propylindolizin-4-ium-4-yl)methanone CAS Name: [4-(3-bromopropoxy)phenyl]-(2-propyl-4-indolizin-4-iumyl)methanone IUPAC Name: [4-(3-bromopropoxy)phenyl]-(2-propylindolizin-4-ium-4-yl)methanone Traditional Name: [4-(3-bromopropoxy)phenyl]-(2-propylindolizin-4-ium-4-yl)methanone Formula: C21H23BrNO2+ MolecularWeight: 401.31682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+]2(C=CC=CC2=C1)C(=O)C3=CC=C(C=C3)OCCCBr

Isomeric SMILES

CCCC1=C[N+]2(C=CC=CC2=C1)C(=O)C3=CC=C(C=C3)OCCCBr

InChI

InChI=1S/C21H23BrNO2/c1-2-6-17-15-19-7-3-4-13-23(19,16-17)21(24)18-8-10-20(11-9-18)25-14-5-12-22/h3-4,7-11,13,15-16H,2,5-6,12,14H2,1H3/q+1