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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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