N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide

Systemtic Name: N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide Openeye Name: N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxy-benzamide bromide CAS Name: N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]-4-tetradecoxybenzamide bromide IUPAC Name: N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-4-tetradecoxybenzamide bromide Traditional Name: N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]-4-myristyloxy-benzamide bromide Formula: C32H45BrN2O2S MolecularWeight: 601.6809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

InChI

InChI=1S/C32H44N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-36-31-20-18-29(19-21-31)32(35)33-30-17-15-16-28(23-30)25-34-24-27(2)37-26-34;/h15-21,23-24,26H,3-14,22,25H2,1-2H3;1H