N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(4-chloranylphenoxy)-2-methyl-propanamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(4-chloranylphenoxy)-2-methyl-propanamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-(4-chlorophenoxy)-2-methyl-propanamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-(4-chlorophenoxy)-2-methylpropanamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)-2-methylpropanamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-(4-chlorophenoxy)-2-methyl-propionamide Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=NC(=CS1)C[NH+]2CCCCCC2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NC1=NC(=CS1)C[NH+]2CCCCCC2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3O2S/c1-20(2,26-17-9-7-15(21)8-10-17)18(25)23-19-22-16(14-27-19)13-24-11-5-3-4-6-12-24/h7-10,14H,3-6,11-13H2,1-2H3,(H,22,23,25)/p+1