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

Systemtic Name: 3-[[2-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium Openeye Name: 3-[[2-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]thiazol-3-ium CAS Name: 3-[[2-[(2-methoxy-3-octadecoxypropoxy)methyl]phenyl]methyl]thiazol-3-ium IUPAC Name: 3-[[2-[(2-methoxy-3-octadecoxypropoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium Traditional Name: 3-[2-[(2-methoxy-3-stearyloxy-propoxy)methyl]benzyl]thiazol-3-ium Formula: C33H56NO3S+ MolecularWeight: 546.86764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1C[N+]2=CSC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1C[N+]2=CSC=C2)OC

InChI

InChI=1S/C33H56NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-36-28-33(35-2)29-37-27-32-22-19-18-21-31(32)26-34-23-25-38-30-34/h18-19,21-23,25,30,33H,3-17,20,24,26-29H2,1-2H3/q+1