4-ethenylpiperidin-1-ium; methane; 2-(trimethylazaniumyl)propanedioate

Systemtic Name: 4-ethenylpiperidin-1-ium; methane; 2-(trimethylazaniumyl)propanedioate Openeye Name: methane; 2-(trimethylammonio)propanedioate; 4-vinylpiperidin-1-ium CAS Name: 4-ethenylpiperidin-1-ium; methane; 2-(trimethylammonio)propanedioate IUPAC Name: 4-ethenylpiperidin-1-ium; methane; 2-(trimethylazaniumyl)propanedioate Traditional Name: methane; 2-(trimethylammonio)malonate; 4-vinylpiperidin-1-ium Formula: C14H28N2O4 MolecularWeight: 288.38312

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Descriptors Computed from Structure

Canonical SMILES:

C.C[N+](C)(C)C(C(=O)[O-])C(=O)[O-].C=CC1CC[NH2+]CC1

Isomeric SMILES

C.C[N+](C)(C)C(C(=O)[O-])C(=O)[O-].C=CC1CC[NH2+]CC1

InChI

InChI=1S/C7H13N.C6H11NO4.CH4/c1-2-7-3-5-8-6-4-7;1-7(2,3)4(5(8)9)6(10)11;/h2,7-8H,1,3-6H2;4H,1-3H3,(H-,8,9,10,11);1H4