N-[13-(4,5-dihydro-1H-imidazol-3-ium-3-yl)pentadecan-2-yl]dodecanamide chloride

Systemtic Name: N-[13-(4,5-dihydro-1H-imidazol-3-ium-3-yl)pentadecan-2-yl]dodecanamide chloride Openeye Name: N-[12-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-methyl-tetradecyl]dodecanamide chloride CAS Name: N-[13-(4,5-dihydro-1H-imidazol-3-ium-3-yl)pentadecan-2-yl]dodecanamide chloride IUPAC Name: N-[13-(4,5-dihydro-1H-imidazol-3-ium-3-yl)pentadecan-2-yl]dodecanamide chloride Traditional Name: N-[12-(2-imidazolin-1-ium-1-yl)-1-methyl-tetradecyl]lauramide chloride Formula: C30H60ClN3O MolecularWeight: 514.2699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C)CCCCCCCCCCC(CC)[N+]1=CNCC1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(C)CCCCCCCCCCC(CC)[N+]1=CNCC1.[Cl-]

InChI

InChI=1S/C30H59N3O.ClH/c1-4-6-7-8-9-10-15-18-21-24-30(34)32-28(3)22-19-16-13-11-12-14-17-20-23-29(5-2)33-26-25-31-27-33;/h27-29H,4-26H2,1-3H3,(H,32,34);1H