3-[[3-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]-5-methyl-1,3-thiazol-3-ium

Systemtic Name: 3-[[3-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]-5-methyl-1,3-thiazol-3-ium Openeye Name: 3-[[3-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]-5-methyl-thiazol-3-ium CAS Name: 3-[[3-[(2-methoxy-3-octadecoxypropoxy)methyl]phenyl]methyl]-5-methylthiazol-3-ium IUPAC Name: 3-[[3-[(2-methoxy-3-octadecoxypropoxy)methyl]phenyl]methyl]-5-methyl-1,3-thiazol-3-ium Traditional Name: 3-[3-[(2-methoxy-3-stearyloxy-propoxy)methyl]benzyl]-5-methyl-thiazol-3-ium Formula: C34H58NO3S+ MolecularWeight: 560.89422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H58NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-37-28-34(36-3)29-38-27-33-22-20-21-32(24-33)26-35-25-31(2)39-30-35/h20-22,24-25,30,34H,4-19,23,26-29H2,1-3H3/q+1