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

Systemtic Name: N-(3-chloranyl-4-octoxy-phenyl)-3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Openeye Name: N-(3-chloro-4-octoxy-phenyl)-3-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide bromide CAS Name: N-(3-chloro-4-octoxyphenyl)-3-[(4-methyl-3-thiazol-3-iumyl)methyl]benzamide bromide IUPAC Name: N-(3-chloro-4-octoxyphenyl)-3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide bromide Traditional Name: N-(3-chloro-4-octoxy-phenyl)-3-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide bromide Formula: C26H32BrClN2O2S MolecularWeight: 551.96648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3C)Cl.[Br-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C[N+]3=CSC=C3C)Cl.[Br-]

InChI

InChI=1S/C26H31ClN2O2S.BrH/c1-3-4-5-6-7-8-14-31-25-13-12-23(16-24(25)27)28-26(30)22-11-9-10-21(15-22)17-29-19-32-18-20(29)2;/h9-13,15-16,18-19H,3-8,14,17H2,1-2H3;1H