dimethyl-(4-methylpent-4-en-2-yl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: dimethyl-(4-methylpent-4-en-2-yl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: 1,3-dimethylbut-3-enyl-dimethyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate CAS Name: dimethyl-(4-methylpent-4-en-2-yl)-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate IUPAC Name: dimethyl-(4-methylpent-4-en-2-yl)-(3-sulfopropyl)azanium; 2-(trimethylazaniumyl)acetate Traditional Name: 1,3-dimethylbut-3-enyl-dimethyl-(3-sulfopropyl)ammonium; 2-(trimethylammonio)acetate Formula: C16H35N2O5S+ MolecularWeight: 367.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=C)C)[N+](C)(C)CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CC(CC(=C)C)[N+](C)(C)CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C11H23NO3S.C5H11NO2/c1-10(2)9-11(3)12(4,5)7-6-8-16(13,14)15;1-6(2,3)4-5(7)8/h11H,1,6-9H2,2-5H3;4H2,1-3H3/p+1