N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-(2-tetradecoxyphenoxy)ethanamide bromide

Systemtic Name: N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-(2-tetradecoxyphenoxy)ethanamide bromide Openeye Name: N-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-(2-tetradecoxyphenoxy)acetamide bromide CAS Name: N-[3-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]-2-(2-tetradecoxyphenoxy)acetamide bromide IUPAC Name: N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-(2-tetradecoxyphenoxy)acetamide bromide Traditional Name: N-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-(2-myristyloxyphenoxy)acetamide bromide Formula: C33H47BrN2O3S MolecularWeight: 631.70688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1OCC(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C.[Br-]

InChI

InChI=1S/C33H46N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-37-31-20-14-15-21-32(31)38-27-33(36)34-30-19-17-18-29(25-30)26-35-22-24-39-28(35)2;/h14-15,17-22,24-25H,3-13,16,23,26-27H2,1-2H3;1H