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

Systemtic Name: 3-tert-butyl-4-tetradecoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Openeye Name: 3-tert-butyl-4-tetradecoxy-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide CAS Name: 3-tert-butyl-4-tetradecoxy-N-[4-(3-thiazol-3-iumylmethyl)phenyl]benzamide bromide IUPAC Name: 3-tert-butyl-4-tetradecoxy-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide Traditional Name: 3-tert-butyl-4-myristyloxy-N-[4-(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=C(C=C1)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(C)(C)C.[Br-]

InChI

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