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

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3-chloro-4-hexadecoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide CAS Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(3-chloro-4-hexadecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide Traditional Name: 2-(4-cetyloxy-3-chloro-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide Formula: C34H48ClN2O3S+ MolecularWeight: 600.27452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)Cl

InChI

InChI=1S/C34H47ClN2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-39-33-21-20-31(25-32(33)35)40-27-34(38)36-30-18-16-29(17-19-30)26-37-22-24-41-28-37/h16-22,24-25,28H,2-15,23,26-27H2,1H3/p+1