octadecan-1-olate; 1,2,2,4-tetramethyl-1-octadecyl-piperidin-1-ium

Systemtic Name: octadecan-1-olate; 1,2,2,4-tetramethyl-1-octadecyl-piperidin-1-ium Openeye Name: octadecan-1-olate; 1,2,2,4-tetramethyl-1-octadecyl-piperidin-1-ium CAS Name: 1-octadecanolate; 1,2,2,4-tetramethyl-1-octadecylpiperidin-1-ium IUPAC Name: octadecan-1-olate; 1,2,2,4-tetramethyl-1-octadecylpiperidin-1-ium Traditional Name: octadecan-1-olate; 1,2,2,4-tetramethyl-1-stearyl-piperidin-1-ium Formula: C45H93NO MolecularWeight: 664.22602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCC(CC1(C)C)C)C.CCCCCCCCCCCCCCCCCC[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCC(CC1(C)C)C)C.CCCCCCCCCCCCCCCCCC[O-]

InChI

InChI=1S/C27H56N.C18H37O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(5)24-22-26(2)25-27(28,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h26H,6-25H2,1-5H3;2-18H2,1H3/q+1;-1