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

Systemtic Name: 2-(3-ethanoyl-2-tetradecoxy-phenyl)-N-[2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: 2-(3-acetyl-2-tetradecoxy-phenyl)-N-[2-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: 2-(3-acetyl-2-myristyloxy-phenyl)-N-[2-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C35H49BrN2O3S MolecularWeight: 657.74416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1CC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3C)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1CC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3C)C(=O)C.[Br-]

InChI

InChI=1S/C35H48N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-40-35-30(20-18-21-32(35)29(3)38)24-34(39)36-33-22-16-15-19-31(33)25-37-27-41-26-28(37)2;/h15-16,18-22,26-27H,4-14,17,23-25H2,1-3H3;1H