2-(azepan-1-ium-1-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C17H23N3OS/c1-12-9-13(2)16-14(10-12)22-17(19-16)18-15(21)11-20-7-5-3-4-6-8-20/h9-10H,3-8,11H2,1-2H3,(H,18,19,21)/p+1