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

Systemtic Name: N-(3-tert-butyl-4-decoxy-phenyl)-3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Openeye Name: N-(3-tert-butyl-4-decoxy-phenyl)-3-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide CAS Name: N-(3-tert-butyl-4-decoxyphenyl)-3-[(4-methyl-3-thiazol-3-iumyl)methyl]benzamide IUPAC Name: N-(3-tert-butyl-4-decoxyphenyl)-3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Traditional Name: N-(3-tert-butyl-4-decoxy-phenyl)-3-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide Formula: C32H45N2O2S+ MolecularWeight: 521.7769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3C)C(C)(C)C

InChI

InChI=1S/C32H44N2O2S/c1-6-7-8-9-10-11-12-13-19-36-30-18-17-28(21-29(30)32(3,4)5)33-31(35)27-16-14-15-26(20-27)22-34-24-37-23-25(34)2/h14-18,20-21,23-24H,6-13,19,22H2,1-5H3/p+1