3-[[3-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]-5-methyl-1,3-thiazol-3-ium

Systemtic Name: 3-[[3-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]-5-methyl-1,3-thiazol-3-ium Openeye Name: 3-[[3-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]-5-methyl-thiazol-3-ium CAS Name: 3-[[3-[(2-ethoxy-3-hexadecoxypropoxy)methyl]phenyl]methyl]-5-methylthiazol-3-ium IUPAC Name: 3-[[3-[(2-ethoxy-3-hexadecoxypropoxy)methyl]phenyl]methyl]-5-methyl-1,3-thiazol-3-ium Traditional Name: 3-[3-[(3-cetyloxy-2-ethoxy-propoxy)methyl]benzyl]-5-methyl-thiazol-3-ium Formula: C33H56NO3S+ MolecularWeight: 546.86764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H56NO3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-27-33(37-5-2)28-36-26-32-21-19-20-31(23-32)25-34-24-30(3)38-29-34/h19-21,23-24,29,33H,4-18,22,25-28H2,1-3H3/q+1