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

Systemtic Name: N-(3-chloranyl-4-octoxy-phenyl)-3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Openeye Name: N-(3-chloro-4-octoxy-phenyl)-3-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide CAS Name: N-(3-chloro-4-octoxyphenyl)-3-[(4-methyl-3-thiazol-3-iumyl)methyl]benzamide IUPAC Name: N-(3-chloro-4-octoxyphenyl)-3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide Traditional Name: N-(3-chloro-4-octoxy-phenyl)-3-[(4-methylthiazol-3-ium-3-yl)methyl]benzamide Formula: C26H32ClN2O2S+ MolecularWeight: 472.06248

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN2O2S/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/p+1