2-(4-dodecoxy-3-ethanoyl-phenyl)-N-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]ethanamide chloride

Systemtic Name: 2-(4-dodecoxy-3-ethanoyl-phenyl)-N-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]ethanamide chloride Openeye Name: 2-(3-acetyl-4-dodecoxy-phenyl)-N-[3-(3-methylthiazol-3-ium-2-yl)phenyl]acetamide chloride CAS Name: 2-(3-acetyl-4-dodecoxyphenyl)-N-[3-(3-methyl-2-thiazol-3-iumyl)phenyl]acetamide chloride IUPAC Name: 2-(3-acetyl-4-dodecoxyphenyl)-N-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]acetamide chloride Traditional Name: 2-(3-acetyl-4-lauryloxy-phenyl)-N-[3-(3-methylthiazol-3-ium-2-yl)phenyl]acetamide chloride Formula: C32H43ClN2O3S MolecularWeight: 571.21342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=[N+](C=CS3)C)C(=O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3=[N+](C=CS3)C)C(=O)C.[Cl-]

InChI

InChI=1S/C32H42N2O3S.ClH/c1-4-5-6-7-8-9-10-11-12-13-20-37-30-18-17-26(22-29(30)25(2)35)23-31(36)33-28-16-14-15-27(24-28)32-34(3)19-21-38-32;/h14-19,21-22,24H,4-13,20,23H2,1-3H3;1H