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

Systemtic Name: 2-(4-chloranyl-3-dodecoxy-phenoxy)-N-[4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide Openeye Name: 2-(4-chloro-3-dodecoxy-phenoxy)-N-[4-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide CAS Name: 2-(4-chloro-3-dodecoxyphenoxy)-N-[4-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide IUPAC Name: 2-(4-chloro-3-dodecoxyphenoxy)-N-[4-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide Traditional Name: 2-(4-chloro-3-lauryloxy-phenoxy)-N-[4-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide Formula: C31H42ClN2O3S+ MolecularWeight: 558.19478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3C)Cl

InChI

InChI=1S/C31H41ClN2O3S/c1-3-4-5-6-7-8-9-10-11-12-19-36-30-20-28(17-18-29(30)32)37-22-31(35)33-27-15-13-26(14-16-27)21-34-24-38-23-25(34)2/h13-18,20,23-24H,3-12,19,21-22H2,1-2H3/p+1