4-tert-butyl-2-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide

Systemtic Name: 4-tert-butyl-2-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Openeye Name: 4-tert-butyl-2-dodecoxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide CAS Name: 4-tert-butyl-2-dodecoxy-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]benzamide bromide IUPAC Name: 4-tert-butyl-2-dodecoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Traditional Name: 4-tert-butyl-2-lauryloxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Formula: C34H49BrN2O2S MolecularWeight: 629.73406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C.[Br-]

InChI

InChI=1S/C34H48N2O2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-21-38-32-23-29(34(3,4)5)19-20-31(32)33(37)35-30-18-16-17-28(22-30)25-36-24-27(2)39-26-36;/h16-20,22-24,26H,6-15,21,25H2,1-5H3;1H