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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C)C(C)(C)C

InChI

InChI=1S/C36H52N2O2S/c1-6-7-8-9-10-11-12-13-14-15-16-19-25-40-34-27-30(22-23-32(34)36(3,4)5)35(39)37-33-21-18-17-20-31(33)28-38-24-26-41-29(38)2/h17-18,20-24,26-27H,6-16,19,25,28H2,1-5H3/p+1