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

Systemtic Name: 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Openeye Name: 2-dodecoxy-4-methoxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide CAS Name: 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]benzamide bromide IUPAC Name: 2-dodecoxy-4-methoxy-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Traditional Name: 2-lauryloxy-4-methoxy-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]benzamide bromide Formula: C31H43BrN2O3S MolecularWeight: 603.65372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-19-36-30-21-28(35-3)17-18-29(30)31(34)32-27-16-14-15-26(20-27)23-33-22-25(2)37-24-33;/h14-18,20-22,24H,4-13,19,23H2,1-3H3;1H