[3-carboxy-3-(dimethylamino)-1-oxidanyl-1-oxidanylidene-pentadecan-2-yl]-trimethyl-azanium

Systemtic Name: [3-carboxy-3-(dimethylamino)-1-oxidanyl-1-oxidanylidene-pentadecan-2-yl]-trimethyl-azanium Openeye Name: [1,2-dicarboxy-2-(dimethylamino)tetradecyl]-trimethyl-ammonium CAS Name: [3-carboxy-3-(dimethylamino)-1-hydroxy-1-oxopentadecan-2-yl]-trimethylammonium IUPAC Name: [3-carboxy-3-(dimethylamino)-1-hydroxy-1-oxopentadecan-2-yl]-trimethylazanium Traditional Name: [1,2-dicarboxy-2-(dimethylamino)tetradecyl]-trimethyl-ammonium Formula: C21H43N2O4+ MolecularWeight: 387.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C(=O)O)[N+](C)(C)C)(C(=O)O)N(C)C

Isomeric SMILES

CCCCCCCCCCCCC(C(C(=O)O)[N+](C)(C)C)(C(=O)O)N(C)C

InChI

InChI=1S/C21H42N2O4/c1-7-8-9-10-11-12-13-14-15-16-17-21(20(26)27,22(2)3)18(19(24)25)23(4,5)6/h18H,7-17H2,1-6H3,(H-,24,25,26,27)/p+1