2,3,3-trimethyl-1-(4-thiophen-2-ylbutyl)indol-1-ium-5-sulfonic acid

Systemtic Name: 2,3,3-trimethyl-1-(4-thiophen-2-ylbutyl)indol-1-ium-5-sulfonic acid Openeye Name: 2,3,3-trimethyl-1-[4-(2-thienyl)butyl]indol-1-ium-5-sulfonic acid CAS Name: 2,3,3-trimethyl-1-(4-thiophen-2-ylbutyl)-5-indol-1-iumsulfonic acid IUPAC Name: 2,3,3-trimethyl-1-(4-thiophen-2-ylbutyl)indol-1-ium-5-sulfonic acid Traditional Name: 2,3,3-trimethyl-1-[4-(2-thienyl)butyl]indol-1-ium-5-sulfonic acid Formula: C19H24NO3S2+ MolecularWeight: 378.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCCCC3=CC=CS3

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCCCC3=CC=CS3

InChI

InChI=1S/C19H23NO3S2/c1-14-19(2,3)17-13-16(25(21,22)23)9-10-18(17)20(14)11-5-4-7-15-8-6-12-24-15/h6,8-10,12-13H,4-5,7,11H2,1-3H3/p+1