N-(3-tert-butyl-2-tetradecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide

Systemtic Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Openeye Name: N-(3-tert-butyl-2-tetradecoxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide CAS Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-4-(3-thiazol-3-iumylmethyl)benzamide bromide IUPAC Name: N-(3-tert-butyl-2-tetradecoxyphenyl)-4-(1,3-thiazol-3-ium-3-ylmethyl)benzamide bromide Traditional Name: N-(3-tert-butyl-2-myristyloxy-phenyl)-4-(thiazol-3-ium-3-ylmethyl)benzamide bromide Formula: C35H51BrN2O2S MolecularWeight: 643.76064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

InChI

InChI=1S/C35H50N2O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-25-39-33-31(35(2,3)4)18-17-19-32(33)36-34(38)30-22-20-29(21-23-30)27-37-24-26-40-28-37;/h17-24,26,28H,5-16,25,27H2,1-4H3;1H