3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-(2-tetradecoxyphenyl)benzamide bromide

Systemtic Name: 3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-(2-tetradecoxyphenyl)benzamide bromide Openeye Name: 3-[(2-methylthiazol-3-ium-3-yl)methyl]-N-(2-tetradecoxyphenyl)benzamide bromide CAS Name: 3-[(2-methyl-3-thiazol-3-iumyl)methyl]-N-(2-tetradecoxyphenyl)benzamide bromide IUPAC Name: 3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-(2-tetradecoxyphenyl)benzamide bromide Traditional Name: 3-[(2-methylthiazol-3-ium-3-yl)methyl]-N-(2-myristyloxyphenyl)benzamide bromide Formula: C32H45BrN2O2S MolecularWeight: 601.6809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)C[N+]3=C(SC=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)C[N+]3=C(SC=C3)C.[Br-]

InChI

InChI=1S/C32H44N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-36-31-21-15-14-20-30(31)33-32(35)29-19-17-18-28(25-29)26-34-22-24-37-27(34)2;/h14-15,17-22,24-25H,3-13,16,23,26H2,1-2H3;1H