(Z)-2-(1,3-benzoxazol-3-ium-2-ylmethyl)-4-ethoxy-pent-3-ene-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: (Z)-2-(1,3-benzoxazol-3-ium-2-ylmethyl)-4-ethoxy-pent-3-ene-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: (Z)-2-(1,3-benzoxazol-3-ium-2-ylmethyl)-4-ethoxy-pent-3-ene-1-sulfonic acid; 2-(trimethylammonio)acetate CAS Name: (Z)-2-(1,3-benzoxazol-3-ium-2-ylmethyl)-4-ethoxy-3-pentene-1-sulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: (Z)-2-(1,3-benzoxazol-3-ium-2-ylmethyl)-4-ethoxypent-3-ene-1-sulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: (Z)-2-(1,3-benzoxazol-3-ium-2-ylmethyl)-4-ethoxy-pent-3-ene-1-sulfonic acid; 2-(trimethylammonio)acetate Formula: C20H31N2O7S+ MolecularWeight: 443.53434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(CC1=[NH+]C2=CC=CC=C2O1)CS(=O)(=O)O)C.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCO/C(=C\C(CC1=[NH+]C2=CC=CC=C2O1)CS(=O)(=O)O)/C.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C15H19NO5S.C5H11NO2/c1-3-20-11(2)8-12(10-22(17,18)19)9-15-16-13-6-4-5-7-14(13)21-15;1-6(2,3)4-5(7)8/h4-8,12H,3,9-10H2,1-2H3,(H,17,18,19);4H2,1-3H3/p+1/b11-8-;