N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]propanamide bromide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propionamide bromide Formula: C38H57BrN2O2S MolecularWeight: 685.84038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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