2-(dimethylamino)-2-[(dodecanoylamino)methyl-dimethyl-azaniumyl]pentanoate

Systemtic Name: 2-(dimethylamino)-2-[(dodecanoylamino)methyl-dimethyl-azaniumyl]pentanoate Openeye Name: 2-(dimethylamino)-2-[(dodecanoylamino)methyl-dimethyl-ammonio]pentanoate CAS Name: 2-(dimethylamino)-2-[dimethyl-[(1-oxododecylamino)methyl]ammonio]pentanoate IUPAC Name: 2-(dimethylamino)-2-[(dodecanoylamino)methyl-dimethylazaniumyl]pentanoate Traditional Name: 2-(dimethylamino)-2-[(lauroylamino)methyl-dimethyl-ammonio]valerate Formula: C22H45N3O3 MolecularWeight: 399.611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC[N+](C)(C)C(CCC)(C(=O)[O-])N(C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)NC[N+](C)(C)C(CCC)(C(=O)[O-])N(C)C

InChI

InChI=1S/C22H45N3O3/c1-7-9-10-11-12-13-14-15-16-17-20(26)23-19-25(5,6)22(18-8-2,21(27)28)24(3)4/h7-19H2,1-6H3,(H-,23,26,27,28)