1-(3,3-diethoxypropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid

Systemtic Name: 1-(3,3-diethoxypropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Openeye Name: 1-(3,3-diethoxypropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid CAS Name: 1-(3,3-diethoxypropyl)-2,3,3-trimethyl-5-indol-1-iumsulfonic acid IUPAC Name: 1-(3,3-diethoxypropyl)-2,3,3-trimethylindol-1-ium-5-sulfonic acid Traditional Name: 1-(3,3-diethoxypropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Formula: C18H28NO5S+ MolecularWeight: 370.48362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)C)OCC

Isomeric SMILES

CCOC(CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)O)(C)C)C)OCC

InChI

InChI=1S/C18H27NO5S/c1-6-23-17(24-7-2)10-11-19-13(3)18(4,5)15-12-14(25(20,21)22)8-9-16(15)19/h8-9,12,17H,6-7,10-11H2,1-5H3/p+1