N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide bromide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[4-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide bromide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-N-[4-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide bromide Formula: C38H57BrN2O2S MolecularWeight: 685.84038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H57N2O2S.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-25-42-37-24-21-34(26-36(37)38(4,5)6)29-40(32(3)41)35-22-19-33(20-23-35)28-39-27-31(2)43-30-39;/h19-24,26-27,30H,7-18,25,28-29H2,1-6H3;1H/q+1;/p-1