1-[2-(2-aminophenyl)-3-methyl-3-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-2-yl]ethanone chloride

Systemtic Name: 1-[2-(2-aminophenyl)-3-methyl-3-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-2-yl]ethanone chloride Openeye Name: 1-[2-(2-aminophenyl)-3-methyl-3-(4-tetradecoxyphenyl)thiazol-3-ium-2-yl]ethanone chloride CAS Name: 1-[2-(2-aminophenyl)-3-methyl-3-(4-tetradecoxyphenyl)-2-thiazol-3-iumyl]ethanone chloride IUPAC Name: 1-[2-(2-aminophenyl)-3-methyl-3-(4-tetradecoxyphenyl)-1,3-thiazol-3-ium-2-yl]ethanone chloride Traditional Name: 1-[2-(2-aminophenyl)-3-methyl-3-(4-myristyloxyphenyl)-4-thiazolin-3-ium-2-yl]ethanone chloride Formula: C32H47ClN2O2S MolecularWeight: 559.24578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)[N+]2(C=CSC2(C3=CC=CC=C3N)C(=O)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)[N+]2(C=CSC2(C3=CC=CC=C3N)C(=O)C)C.[Cl-]

InChI

InChI=1S/C32H47N2O2S.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-17-25-36-29-22-20-28(21-23-29)34(3)24-26-37-32(34,27(2)35)30-18-15-16-19-31(30)33;/h15-16,18-24,26H,4-14,17,25,33H2,1-3H3;1H/q+1;/p-1