N-(4-tert-butyl-2-tetradecoxy-phenyl)-4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide

Systemtic Name: N-(4-tert-butyl-2-tetradecoxy-phenyl)-4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Openeye Name: N-(4-tert-butyl-2-tetradecoxy-phenyl)-4-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide CAS Name: N-(4-tert-butyl-2-tetradecoxyphenyl)-4-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide IUPAC Name: N-(4-tert-butyl-2-tetradecoxyphenyl)-4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Traditional Name: N-(4-tert-butyl-2-myristyloxy-phenyl)-4-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide Formula: C36H53N2O2S+ MolecularWeight: 577.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC(=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(C)(C)C)NC(=O)C2=CC=C(C=C2)C[N+]3=CSC(=C3)C

InChI

InChI=1S/C36H52N2O2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-40-34-25-32(36(3,4)5)22-23-33(34)37-35(39)31-20-18-30(19-21-31)27-38-26-29(2)41-28-38/h18-23,25-26,28H,6-17,24,27H2,1-5H3/p+1