4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide bromide

Systemtic Name: 4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide bromide Openeye Name: 4-[(5-methylthiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide bromide CAS Name: 4-[(5-methyl-3-thiazol-3-iumyl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide bromide IUPAC Name: 4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]-N-[(4-tetradecoxyphenyl)methyl]benzamide bromide Traditional Name: 4-[(5-methylthiazol-3-ium-3-yl)methyl]-N-(4-myristyloxybenzyl)benzamide bromide Formula: C33H47BrN2O2S MolecularWeight: 615.70748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-37-32-21-17-29(18-22-32)24-34-33(36)31-19-15-30(16-20-31)26-35-25-28(2)38-27-35;/h15-22,25,27H,3-14,23-24,26H2,1-2H3;1H