4-[4-(3-bromanylpropoxy)phenyl]sulfonyl-2-butyl-indolizin-4-ium

Systemtic Name: 4-[4-(3-bromanylpropoxy)phenyl]sulfonyl-2-butyl-indolizin-4-ium Openeye Name: 4-[4-(3-bromopropoxy)phenyl]sulfonyl-2-butyl-indolizin-4-ium CAS Name: 4-[4-(3-bromopropoxy)phenyl]sulfonyl-2-butylindolizin-4-ium IUPAC Name: 4-[4-(3-bromopropoxy)phenyl]sulfonyl-2-butylindolizin-4-ium Traditional Name: 4-[4-(3-bromopropoxy)phenyl]sulfonyl-2-butyl-indolizin-4-ium Formula: C21H25BrNO3S+ MolecularWeight: 451.3971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[N+]2(C=CC=CC2=C1)S(=O)(=O)C3=CC=C(C=C3)OCCCBr

Isomeric SMILES

CCCCC1=C[N+]2(C=CC=CC2=C1)S(=O)(=O)C3=CC=C(C=C3)OCCCBr

InChI

InChI=1S/C21H25BrNO3S/c1-2-3-7-18-16-19-8-4-5-14-23(19,17-18)27(24,25)21-11-9-20(10-12-21)26-15-6-13-22/h4-5,8-12,14,16-17H,2-3,6-7,13,15H2,1H3/q+1