2-(3-ethanoyl-4-tetradecoxy-phenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide

Systemtic Name: 2-(3-ethanoyl-4-tetradecoxy-phenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-4-tetradecoxy-phenoxy)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-acetyl-4-tetradecoxyphenoxy)-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-4-tetradecoxyphenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-4-myristyloxy-phenoxy)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C35H49BrN2O4S MolecularWeight: 673.74356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48N2O4S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-40-34-21-20-32(23-33(34)29(3)38)41-26-35(39)36-31-18-16-30(17-19-31)25-37-24-28(2)42-27-37;/h16-21,23-24,27H,4-15,22,25-26H2,1-3H3;1H