3-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium

Systemtic Name: 3-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium Openeye Name: 3-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]thiazol-3-ium CAS Name: 3-[[4-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]thiazol-3-ium IUPAC Name: 3-[[4-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium Traditional Name: 3-[4-[(3-cetyloxy-2-methoxy-propoxy)methyl]benzyl]thiazol-3-ium Formula: C31H52NO3S+ MolecularWeight: 518.81448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-34-26-31(33-2)27-35-25-30-19-17-29(18-20-30)24-32-21-23-36-28-32/h17-21,23,28,31H,3-16,22,24-27H2,1-2H3/q+1