3,3-dimethyl-4-(sulfomethyl)-5-(tetradecylamino)-2-(trimethylazaniumyl)pentanoate

Systemtic Name: 3,3-dimethyl-4-(sulfomethyl)-5-(tetradecylamino)-2-(trimethylazaniumyl)pentanoate Openeye Name: 3,3-dimethyl-4-(sulfomethyl)-5-(tetradecylamino)-2-(trimethylammonio)pentanoate CAS Name: 3,3-dimethyl-4-(sulfomethyl)-5-(tetradecylamino)-2-(trimethylammonio)pentanoate IUPAC Name: 3,3-dimethyl-4-(sulfomethyl)-5-(tetradecylamino)-2-(trimethylazaniumyl)pentanoate Traditional Name: 3,3-dimethyl-4-[(myristylamino)methyl]-5-sulfo-2-(trimethylammonio)valerate Formula: C25H52N2O5S MolecularWeight: 492.75578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNCC(CS(=O)(=O)O)C(C)(C)C(C(=O)[O-])[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCNCC(CS(=O)(=O)O)C(C)(C)C(C(=O)[O-])[N+](C)(C)C

InChI

InChI=1S/C25H52N2O5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(21-33(30,31)32)25(2,3)23(24(28)29)27(4,5)6/h22-23,26H,7-21H2,1-6H3,(H-,28,29,30,31,32)