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

Systemtic Name: N-[(3,5-dimethyl-4-tetradecoxy-phenyl)methyl]-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-[(3,5-dimethyl-4-tetradecoxy-phenyl)methyl]-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-[(3,5-dimethyl-4-tetradecoxyphenyl)methyl]-3-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-[(3,5-dimethyl-4-tetradecoxyphenyl)methyl]-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3,5-dimethyl-4-myristyloxy-benzyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C35H51BrN2O2S MolecularWeight: 643.76064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1C)CNC(=O)C2=CC(=CC=C2)C[N+]3=CSC(=C3)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1C)CNC(=O)C2=CC(=CC=C2)C[N+]3=CSC(=C3)C)C.[Br-]

InChI

InChI=1S/C35H50N2O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-39-34-28(2)21-32(22-29(34)3)24-36-35(38)33-19-17-18-31(23-33)26-37-25-30(4)40-27-37;/h17-19,21-23,25,27H,5-16,20,24,26H2,1-4H3;1H