disodium; 2-methylidene-5-(trimethylazaniumyl)pentanoate; (E)-2-phenylethenesulfonate; chloride

Systemtic Name: disodium; 2-methylidene-5-(trimethylazaniumyl)pentanoate; (E)-2-phenylethenesulfonate; chloride Openeye Name: disodium; 2-methylene-5-(trimethylammonio)pentanoate; (E)-2-phenylethenesulfonate; chloride CAS Name: disodium; 2-methylene-5-(trimethylammonio)pentanoate; (E)-2-phenylethenesulfonate; chloride IUPAC Name: disodium; 2-methylidene-5-(trimethylazaniumyl)pentanoate; (E)-2-phenylethenesulfonate; chloride Traditional Name: disodium; (E)-2-phenylethenesulfonate; 2-[3-(trimethylammonio)propyl]acrylate; chloride Formula: C17H24ClNNa2O5S MolecularWeight: 435.8737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCC(=C)C(=O)[O-].C1=CC=C(C=C1)C=CS(=O)(=O)[O-].[Na+].[Na+].[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCC(=C)C(=O)[O-].C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].[Na+].[Na+].[Cl-]

InChI

InChI=1S/C9H17NO2.C8H8O3S.ClH.2Na/c1-8(9(11)12)6-5-7-10(2,3)4;9-12(10,11)7-6-8-4-2-1-3-5-8;;;/h1,5-7H2,2-4H3;1-7H,(H,9,10,11);1H;;/q;;;2*+1/p-2/b;7-6+;;;