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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C)C(C)(C)C

InChI

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