4-(5-ethanoyl-2,3,3-trimethyl-indol-1-ium-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(5-ethanoyl-2,3,3-trimethyl-indol-1-ium-1-yl)butane-1-sulfonic acid Openeye Name: 4-(5-acetyl-2,3,3-trimethyl-indol-1-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-(5-acetyl-2,3,3-trimethyl-1-indol-1-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(5-acetyl-2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-(5-acetyl-2,3,3-trimethyl-indol-1-ium-1-yl)butane-1-sulfonic acid Formula: C17H24NO4S+ MolecularWeight: 338.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C(=O)C)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C(=O)C)CCCCS(=O)(=O)O

InChI

InChI=1S/C17H23NO4S/c1-12(19)14-7-8-16-15(11-14)17(3,4)13(2)18(16)9-5-6-10-23(20,21)22/h7-8,11H,5-6,9-10H2,1-4H3/p+1