[(E)-3-carboxy-2,21-bis(oxidanyl)-4-oxidanylidene-henicos-5-enyl]-trimethyl-azanium

Systemtic Name: [(E)-3-carboxy-2,21-bis(oxidanyl)-4-oxidanylidene-henicos-5-enyl]-trimethyl-azanium Openeye Name: [(E)-3-carboxy-2,21-dihydroxy-4-oxo-henicos-5-enyl]-trimethyl-ammonium CAS Name: [(E)-3-carboxy-2,21-dihydroxy-4-oxoheneicos-5-enyl]-trimethylammonium IUPAC Name: [(E)-3-carboxy-2,21-dihydroxy-4-oxohenicos-5-enyl]-trimethylazanium Traditional Name: [(E)-3-carboxy-2,21-dihydroxy-4-keto-heneicos-5-enyl]-trimethyl-ammonium Formula: C25H48NO5+ MolecularWeight: 442.65232

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(C(=O)C=CCCCCCCCCCCCCCCCO)C(=O)O)O

Isomeric SMILES

C[N+](C)(C)CC(C(C(=O)/C=C/CCCCCCCCCCCCCCCO)C(=O)O)O

InChI

InChI=1S/C25H47NO5/c1-26(2,3)21-23(29)24(25(30)31)22(28)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-27/h17,19,23-24,27,29H,4-16,18,20-21H2,1-3H3/p+1/b19-17+