[4-(2-propylindolizin-4-ium-4-yl)carbonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-propylindolizin-4-ium-4-yl)carbonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-propylindolizin-4-ium-4-carbonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[oxo-(2-propyl-4-indolizin-4-iumyl)methyl]phenyl] ester IUPAC Name: [4-(2-propylindolizin-4-ium-4-carbonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-propylindolizin-4-ium-4-carbonyl)phenyl] ester Formula: C25H24NO4S+ MolecularWeight: 434.52736

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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)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=C[N+]2(C=CC=CC2=C1)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H24NO4S/c1-3-6-20-17-22-7-4-5-16-26(22,18-20)25(27)21-10-12-23(13-11-21)30-31(28,29)24-14-8-19(2)9-15-24/h4-5,7-18H,3,6H2,1-2H3/q+1