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

Systemtic Name: 4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]-3-methyl-2-phenyl-1,3-thiazol-3-ium bromide Openeye Name: 4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]-3-methyl-2-phenyl-thiazol-3-ium bromide CAS Name: 4-[(3-hexadecoxy-2-methoxypropoxy)methyl]-3-methyl-2-phenylthiazol-3-ium bromide IUPAC Name: 4-[(3-hexadecoxy-2-methoxypropoxy)methyl]-3-methyl-2-phenyl-1,3-thiazol-3-ium bromide Traditional Name: 4-[(3-cetyloxy-2-methoxy-propoxy)methyl]-3-methyl-2-phenyl-thiazol-3-ium bromide Formula: C31H52BrNO3S MolecularWeight: 598.71848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CSC(=[N+]1C)C2=CC=CC=C2)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CSC(=[N+]1C)C2=CC=CC=C2)OC.[Br-]

InChI

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