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

Systemtic Name: 2-(3-chloranyl-2-tetradecoxy-phenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(3-chloro-2-tetradecoxy-phenoxy)-N-[4-(thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(3-chloro-2-tetradecoxyphenoxy)-N-[4-(3-thiazol-3-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(3-chloro-2-tetradecoxyphenoxy)-N-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(3-chloro-2-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=C(C=CC=C1Cl)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)OCC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

InChI

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