3-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylcarbonylamino)propyl-dodecyl-dimethyl-azanium

Systemtic Name: 3-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylcarbonylamino)propyl-dodecyl-dimethyl-azanium Openeye Name: 3-(1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonylamino)propyl-dodecyl-dimethyl-ammonium CAS Name: 3-[[1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl(oxo)methyl]amino]propyl-dodecyl-dimethylammonium IUPAC Name: 3-(1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonylamino)propyl-dodecyl-dimethylazanium Traditional Name: 3-(1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonylamino)propyl-lauryl-dimethyl-ammonium Formula: C26H51N2O+ MolecularWeight: 407.69594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1CCC2C1CCC2

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1CCC2C1CCC2

InChI

InChI=1S/C26H50N2O/c1-4-5-6-7-8-9-10-11-12-13-21-28(2,3)22-15-20-27-26(29)25-19-18-23-16-14-17-24(23)25/h23-25H,4-22H2,1-3H3/p+1