2-(4-dodecoxy-3-ethanoyl-phenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide

Systemtic Name: 2-(4-dodecoxy-3-ethanoyl-phenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide Openeye Name: 2-(3-acetyl-4-dodecoxy-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide CAS Name: 2-(3-acetyl-4-dodecoxyphenoxy)-N-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide IUPAC Name: 2-(3-acetyl-4-dodecoxyphenoxy)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide Traditional Name: 2-(3-acetyl-4-lauryloxy-phenoxy)-N-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide Formula: C33H45N2O4S+ MolecularWeight: 565.7864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C

InChI

InChI=1S/C33H44N2O4S/c1-4-5-6-7-8-9-10-11-12-13-19-38-32-18-17-30(21-31(32)27(3)36)39-24-33(37)34-29-16-14-15-28(20-29)23-35-22-26(2)40-25-35/h14-18,20-22,25H,4-13,19,23-24H2,1-3H3/p+1