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

Systemtic Name: 2-(3-methoxy-2-tetradecoxy-phenoxy)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-methoxy-2-tetradecoxy-phenoxy)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-methoxy-2-tetradecoxyphenoxy)-N-[2-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-methoxy-2-tetradecoxyphenoxy)-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-methoxy-2-myristyloxy-phenoxy)-N-[2-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C33H47BrN2O4S MolecularWeight: 647.70628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OCC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)OC.[Br-]

InChI

InChI=1S/C33H46N2O4S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-38-33-30(37-2)20-17-21-31(33)39-26-32(36)34-29-19-15-14-18-28(29)25-35-22-24-40-27-35;/h14-15,17-22,24,27H,3-13,16,23,25-26H2,1-2H3;1H