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

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)ethanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(3-keto-4H-1,4-benzothiazin-2-ylidene)acetamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)C=C2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)C=C2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C18H23N3O2S/c22-17(19-9-12-21-10-5-1-2-6-11-21)13-16-18(23)20-14-7-3-4-8-15(14)24-16/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,19,22)(H,20,23)/p+1