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

Systemtic Name: N-[(4-hexadecoxyphenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(4-hexadecoxyphenyl)methyl]-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(4-hexadecoxyphenyl)methyl]-N-[3-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(4-hexadecoxyphenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(4-cetyloxybenzyl)-N-[3-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C35H51BrN2O2S MolecularWeight: 643.76064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=CC(=C2)C[N+]3=CSC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C35H51N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-39-35-22-20-32(21-23-35)29-37(31(2)38)34-19-17-18-33(27-34)28-36-24-26-40-30-36;/h17-24,26-27,30H,3-16,25,28-29H2,1-2H3;1H/q+1;/p-1