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

Systemtic Name: 2-(4-chloranyl-3-dodecoxy-phenyl)-N-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]ethanamide Openeye Name: 2-(4-chloro-3-dodecoxy-phenyl)-N-[3-(3-methylthiazol-3-ium-2-yl)phenyl]acetamide CAS Name: 2-(4-chloro-3-dodecoxyphenyl)-N-[3-(3-methyl-2-thiazol-3-iumyl)phenyl]acetamide IUPAC Name: 2-(4-chloro-3-dodecoxyphenyl)-N-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]acetamide Traditional Name: 2-(4-chloro-3-lauryloxy-phenyl)-N-[3-(3-methylthiazol-3-ium-2-yl)phenyl]acetamide Formula: C30H40ClN2O2S+ MolecularWeight: 528.1688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39ClN2O2S/c1-3-4-5-6-7-8-9-10-11-12-19-35-28-21-24(16-17-27(28)31)22-29(34)32-26-15-13-14-25(23-26)30-33(2)18-20-36-30/h13-18,20-21,23H,3-12,19,22H2,1-2H3/p+1