4-(2-butylindolizin-4-ium-4-yl)sulfonylphenol

Systemtic Name: 4-(2-butylindolizin-4-ium-4-yl)sulfonylphenol Openeye Name: 4-(2-butylindolizin-4-ium-4-yl)sulfonylphenol CAS Name: 4-[(2-butyl-4-indolizin-4-iumyl)sulfonyl]phenol IUPAC Name: 4-(2-butylindolizin-4-ium-4-yl)sulfonylphenol Traditional Name: 4-(2-butylindolizin-4-ium-4-yl)sulfonylphenol Formula: C18H20NO3S+ MolecularWeight: 330.4213

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-2-3-6-15-13-16-7-4-5-12-19(16,14-15)23(21,22)18-10-8-17(20)9-11-18/h4-5,7-14H,2-3,6H2,1H3/p+1