3-[[3-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium

Systemtic Name: 3-[[3-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium Openeye Name: 3-[[3-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]thiazol-3-ium CAS Name: 3-[[3-[(2-ethoxy-3-hexadecoxypropoxy)methyl]phenyl]methyl]thiazol-3-ium IUPAC Name: 3-[[3-[(2-ethoxy-3-hexadecoxypropoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium Traditional Name: 3-[3-[(3-cetyloxy-2-ethoxy-propoxy)methyl]benzyl]thiazol-3-ium Formula: C32H54NO3S+ MolecularWeight: 532.84106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC(=C1)C[N+]2=CSC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC(=C1)C[N+]2=CSC=C2)OCC

InChI

InChI=1S/C32H54NO3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-27-32(36-4-2)28-35-26-31-20-18-19-30(24-31)25-33-21-23-37-29-33/h18-21,23-24,29,32H,3-17,22,25-28H2,1-2H3/q+1