3-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]-5-methyl-1,3-thiazol-3-ium

Systemtic Name: 3-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]-5-methyl-1,3-thiazol-3-ium Openeye Name: 3-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]-5-methyl-thiazol-3-ium CAS Name: 3-[[4-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]-5-methylthiazol-3-ium IUPAC Name: 3-[[4-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]-5-methyl-1,3-thiazol-3-ium Traditional Name: 3-[4-[(3-cetyloxy-2-methoxy-propoxy)methyl]benzyl]-5-methyl-thiazol-3-ium Formula: C32H54NO3S+ MolecularWeight: 532.84106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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