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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC(=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)C(=O)NC2=CC=C(C=C2)C[N+]3=CSC(=C3)C

InChI

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