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

Systemtic Name: 2-(3-tert-butyl-2-tetradecoxy-phenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-tert-butyl-2-tetradecoxy-phenoxy)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-tert-butyl-2-tetradecoxyphenoxy)-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-tert-butyl-2-tetradecoxyphenoxy)-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-tert-butyl-2-myristyloxy-phenoxy)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C37H55BrN2O3S MolecularWeight: 687.8132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54N2O3S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-25-41-36-33(37(3,4)5)19-18-20-34(36)42-28-35(40)38-32-23-21-31(22-24-32)27-39-26-30(2)43-29-39;/h18-24,26,29H,6-17,25,27-28H2,1-5H3;1H