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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)C(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)C(=O)NC2=CC=CC=C2C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C35H50N2O2S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-39-33-30(21-19-22-31(33)35(2,3)4)34(38)36-32-23-17-16-20-29(32)27-37-24-26-40-28-37;/h16-17,19-24,26,28H,5-15,18,25,27H2,1-4H3;1H