(5-azanyl-2-carboxy-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-dimethyl-(2-oxidanylidenetridecyl)azanium

Systemtic Name: (5-azanyl-2-carboxy-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-dimethyl-(2-oxidanylidenetridecyl)azanium Openeye Name: (4-amino-1,1-dicarboxy-butyl)-dimethyl-(2-oxotridecyl)ammonium CAS Name: (5-amino-2-carboxy-1-hydroxy-1-oxopentan-2-yl)-dimethyl-(2-oxotridecyl)ammonium IUPAC Name: (5-amino-2-carboxy-1-hydroxy-1-oxopentan-2-yl)-dimethyl-(2-oxotridecyl)azanium Traditional Name: (4-amino-1,1-dicarboxy-butyl)-(2-ketotridecyl)-dimethyl-ammonium Formula: C21H41N2O5+ MolecularWeight: 401.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C[N+](C)(C)C(CCCN)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C[N+](C)(C)C(CCCN)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H40N2O5/c1-4-5-6-7-8-9-10-11-12-14-18(24)17-23(2,3)21(19(25)26,20(27)28)15-13-16-22/h4-17,22H2,1-3H3,(H-,25,26,27,28)/p+1