N-(4-chloranyl-2-tetradecoxy-phenyl)-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide

Systemtic Name: N-(4-chloranyl-2-tetradecoxy-phenyl)-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(4-chloro-2-tetradecoxy-phenyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(4-chloro-2-tetradecoxyphenyl)-3-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(4-chloro-2-tetradecoxyphenyl)-3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(4-chloro-2-myristyloxy-phenyl)-3-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C32H44BrClN2O2S MolecularWeight: 636.12596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)Cl)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC(=C3)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)Cl)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC(=C3)C.[Br-]

InChI

InChI=1S/C32H43ClN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-37-31-22-29(33)18-19-30(31)34-32(36)28-17-15-16-27(21-28)24-35-23-26(2)38-25-35;/h15-19,21-23,25H,3-14,20,24H2,1-2H3;1H