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

Systemtic Name: N-(3-chloranyl-4-tetradecoxy-phenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(3-chloro-4-tetradecoxy-phenyl)-2-[(5-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(3-chloro-4-tetradecoxyphenyl)-2-[(5-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(3-chloro-4-tetradecoxyphenyl)-2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3-chloro-4-myristyloxy-phenyl)-2-[(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=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC(=C3)C)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C[N+]3=CSC(=C3)C)Cl.[Br-]

InChI

InChI=1S/C32H43ClN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-37-31-20-19-28(22-30(31)33)34-32(36)29-18-15-14-17-27(29)24-35-23-26(2)38-25-35;/h14-15,17-20,22-23,25H,3-13,16,21,24H2,1-2H3;1H