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

Systemtic Name: 2-(2-chloranyl-4-tetradecoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(2-chloro-4-tetradecoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(2-chloro-4-tetradecoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(2-chloro-4-tetradecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(2-chloro-4-myristyloxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C32H44BrClN2O3S MolecularWeight: 652.12536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)Cl.[Br-]

InChI

InChI=1S/C32H43ClN2O3S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-37-29-18-19-31(30(33)23-29)38-25-32(36)34-28-16-14-27(15-17-28)24-35-20-22-39-26-35;/h14-20,22-23,26H,2-13,21,24-25H2,1H3;1H