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

Systemtic Name: 3-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylcarbonylamino)propyl-dimethyl-tetradecyl-azanium Openeye Name: 3-(1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonylamino)propyl-dimethyl-tetradecyl-ammonium CAS Name: 3-[[1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl(oxo)methyl]amino]propyl-dimethyl-tetradecylammonium IUPAC Name: 3-(1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonylamino)propyl-dimethyl-tetradecylazanium Traditional Name: 3-(1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonylamino)propyl-dimethyl-myristyl-ammonium Formula: C28H55N2O+ MolecularWeight: 435.7491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H54N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-23-30(2,3)24-17-22-29-28(31)27-21-20-25-18-16-19-26(25)27/h25-27H,4-24H2,1-3H3/p+1