2-(azepan-1-ium-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(4-methylthiazol-2-yl)acetamide Formula: C12H20N3OS+ MolecularWeight: 254.3717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C12H19N3OS/c1-10-9-17-12(13-10)14-11(16)8-15-6-4-2-3-5-7-15/h9H,2-8H2,1H3,(H,13,14,16)/p+1