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

Systemtic Name: N-[(4-tert-butyl-3-tetradecoxy-phenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(4-tert-butyl-3-tetradecoxy-phenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(4-tert-butyl-3-tetradecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(4-tert-butyl-3-tetradecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(4-tert-butyl-3-myristyloxy-benzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C37H55BrN2O2S MolecularWeight: 671.8138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H55N2O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-25-41-36-27-33(20-23-35(36)37(3,4)5)29-39(31(2)40)34-21-18-32(19-22-34)28-38-24-26-42-30-38;/h18-24,26-27,30H,6-17,25,28-29H2,1-5H3;1H/q+1;/p-1