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

Systemtic Name: 3-[[3-[(3-hexadecoxy-2-propoxy-propoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium Openeye Name: 3-[[3-[(3-hexadecoxy-2-propoxy-propoxy)methyl]phenyl]methyl]thiazol-3-ium CAS Name: 3-[[3-[(3-hexadecoxy-2-propoxypropoxy)methyl]phenyl]methyl]thiazol-3-ium IUPAC Name: 3-[[3-[(3-hexadecoxy-2-propoxypropoxy)methyl]phenyl]methyl]-1,3-thiazol-3-ium Traditional Name: 3-[3-[(3-cetyloxy-2-propoxy-propoxy)methyl]benzyl]thiazol-3-ium Formula: C33H56NO3S+ MolecularWeight: 546.86764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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