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

Systemtic Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(3-lauryloxybenzyl)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C31H43BrN2O2S MolecularWeight: 587.65432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-21-35-31-15-13-14-29(23-31)25-33(27(2)34)30-18-16-28(17-19-30)24-32-20-22-36-26-32;/h13-20,22-23,26H,3-12,21,24-25H2,1-2H3;1H/q+1;/p-1