dimethyl-(4-oxidanylidene-3-pentadecyl-henicosyl)-(2-oxidanylpropyl)azanium

Systemtic Name: dimethyl-(4-oxidanylidene-3-pentadecyl-henicosyl)-(2-oxidanylpropyl)azanium Openeye Name: 2-hydroxypropyl-dimethyl-(4-oxo-3-pentadecyl-henicosyl)ammonium CAS Name: 2-hydroxypropyl-dimethyl-(4-oxo-3-pentadecylheneicosyl)ammonium IUPAC Name: 2-hydroxypropyl-dimethyl-(4-oxo-3-pentadecylhenicosyl)azanium Traditional Name: 2-hydroxypropyl-(4-keto-3-pentadecyl-heneicosyl)-dimethyl-ammonium Formula: C41H84NO2+ MolecularWeight: 623.11116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCC)CC[N+](C)(C)CC(C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCC)CC[N+](C)(C)CC(C)O

InChI

InChI=1S/C41H84NO2/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(44)40(36-37-42(4,5)38-39(3)43)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h39-40,43H,6-38H2,1-5H3/q+1