2-(3-chloranyl-4-octoxy-phenyl)-N-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide

Systemtic Name: 2-(3-chloranyl-4-octoxy-phenyl)-N-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]ethanamide Openeye Name: 2-(3-chloro-4-octoxy-phenyl)-N-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide CAS Name: 2-(3-chloro-4-octoxyphenyl)-N-[3-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]acetamide IUPAC Name: 2-(3-chloro-4-octoxyphenyl)-N-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide Traditional Name: 2-(3-chloro-4-octoxy-phenyl)-N-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]acetamide Formula: C27H34ClN2O2S+ MolecularWeight: 486.08906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33ClN2O2S/c1-3-4-5-6-7-8-14-32-26-13-12-22(16-25(26)28)17-27(31)29-24-11-9-10-23(15-24)18-30-20-33-19-21(30)2/h9-13,15-16,19-20H,3-8,14,17-18H2,1-2H3/p+1