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

Systemtic Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Openeye Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide CAS Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]propanamide bromide IUPAC Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide bromide Traditional Name: N-(4-lauryloxybenzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]propionamide bromide Formula: C32H45BrN2O2S MolecularWeight: 601.6809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)CC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)CC.[Br-]

InChI

InChI=1S/C32H45N2O2S.BrH/c1-3-5-6-7-8-9-10-11-12-13-23-36-31-20-16-29(17-21-31)26-34(32(35)4-2)30-18-14-28(15-19-30)25-33-22-24-37-27-33;/h14-22,24,27H,3-13,23,25-26H2,1-2H3;1H/q+1;/p-1