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

Systemtic Name: 2-(4-hexadecoxyphenoxy)-N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide Openeye Name: 2-(4-hexadecoxyphenoxy)-N-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide CAS Name: 2-(4-hexadecoxyphenoxy)-N-[2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide IUPAC Name: 2-(4-hexadecoxyphenoxy)-N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide Traditional Name: 2-(4-cetyloxyphenoxy)-N-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide Formula: C35H51N2O3S+ MolecularWeight: 579.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C[N+]3=CSC(=C3)C

InChI

InChI=1S/C35H50N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-39-32-21-23-33(24-22-32)40-28-35(38)36-34-20-17-16-19-31(34)27-37-26-30(2)41-29-37/h16-17,19-24,26,29H,3-15,18,25,27-28H2,1-2H3/p+1