N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-keto-1,4-benzothiazin-4-yl)acetamide Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)CN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)CN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C18H25N3O2S/c22-17(19-9-12-20-10-5-1-2-6-11-20)13-21-15-7-3-4-8-16(15)24-14-18(21)23/h3-4,7-8H,1-2,5-6,9-14H2,(H,19,22)/p+1