[4-(3-ethanoyl-2-propyl-indolizin-4-ium-4-yl)carbonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(3-ethanoyl-2-propyl-indolizin-4-ium-4-yl)carbonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(3-acetyl-2-propyl-indolizin-4-ium-4-carbonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(3-acetyl-2-propyl-4-indolizin-4-iumyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(3-acetyl-2-propylindolizin-4-ium-4-carbonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(3-acetyl-2-propyl-indolizin-4-ium-4-carbonyl)phenyl] ester Formula: C27H26NO5S+ MolecularWeight: 476.56404

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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)C(=O)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)C(=O)C

InChI

InChI=1S/C27H26NO5S/c1-4-7-22-18-23-8-5-6-17-28(23,26(22)20(3)29)27(30)21-11-13-24(14-12-21)33-34(31,32)25-15-9-19(2)10-16-25/h5-6,8-18H,4,7H2,1-3H3/q+1