2-methylspiro[indole-3,4'-oxane]-5-sulfonic acid; triethylazanium

Systemtic Name: 2-methylspiro[indole-3,4'-oxane]-5-sulfonic acid; triethylazanium Openeye Name: 2-methylspiro[indole-3,4'-tetrahydropyran]-5-sulfonic acid; triethylammonium CAS Name: 2-methyl-5-spiro[indole-3,4'-oxane]sulfonic acid; triethylammonium IUPAC Name: 2-methylspiro[indole-3,4'-oxane]-5-sulfonic acid; triethylazanium Traditional Name: 2-methylspiro[indole-3,4'-tetrahydropyran]-5-sulfonic acid; triethylammonium Formula: C19H31N2O4S+ MolecularWeight: 383.52544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC1=NC2=C(C13CCOCC3)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC[NH+](CC)CC.CC1=NC2=C(C13CCOCC3)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H15NO4S.C6H15N/c1-9-13(4-6-18-7-5-13)11-8-10(19(15,16)17)2-3-12(11)14-9;1-4-7(5-2)6-3/h2-3,8H,4-7H2,1H3,(H,15,16,17);4-6H2,1-3H3/p+1