N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide

Systemtic Name: N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide Openeye Name: N-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxy-benzamide bromide CAS Name: N-[3-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]-3-tetradecoxybenzamide bromide IUPAC Name: N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-tetradecoxybenzamide bromide Traditional Name: N-[3-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-myristyloxy-benzamide bromide Formula: C32H45BrN2O2S MolecularWeight: 601.6809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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