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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C[N+]3=C(SC=C3)C.[Br-]

InChI

InChI=1S/C33H46N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-37-31-19-16-20-32(25-31)38-27-33(36)34-30-18-15-17-29(24-30)26-35-21-23-39-28(35)2;/h15-21,23-25H,3-14,22,26-27H2,1-2H3;1H