N-[(4-tetradecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: N-[(4-tetradecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(4-tetradecoxyphenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(4-tetradecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(4-tetradecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(4-myristyloxybenzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C33H47BrN2O2S MolecularWeight: 615.70748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-37-33-21-17-31(18-22-33)27-35(29(2)36)32-19-15-30(16-20-32)26-34-23-25-38-28-34;/h15-23,25,28H,3-14,24,26-27H2,1-2H3;1H/q+1;/p-1