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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C)Cl

InChI

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