2-(2-hexadecoxy-3-methoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(2-hexadecoxy-3-methoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: 2-(2-hexadecoxy-3-methoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: 2-(2-hexadecoxy-3-methoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(2-hexadecoxy-3-methoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: 2-(2-cetyloxy-3-methoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C35H51N2O4S+ MolecularWeight: 595.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)OC

InChI

InChI=1S/C35H50N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-40-35-32(39-2)18-17-19-33(35)41-28-34(38)36-31-22-20-30(21-23-31)27-37-24-26-42-29-37/h17-24,26,29H,3-16,25,27-28H2,1-2H3/p+1