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

Systemtic Name: 2-(4-dodecoxy-3-ethanoyl-phenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-4-dodecoxy-phenyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-acetyl-4-dodecoxyphenyl)-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-4-dodecoxyphenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-4-lauryloxy-phenyl)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C33H45BrN2O3S MolecularWeight: 629.691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C.[Br-]

InChI

InChI=1S/C33H44N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-19-38-32-18-17-28(21-31(32)27(3)36)22-33(37)34-30-16-14-15-29(20-30)24-35-23-26(2)39-25-35;/h14-18,20-21,23,25H,4-13,19,22,24H2,1-3H3;1H