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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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