N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(3-methoxyphenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-keto-2-m-anisylidene-4H-1,4-benzothiazine-6-carboxamide Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C=C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC[NH+]4CCCCCC4

InChI

InChI=1S/C25H29N3O3S/c1-31-20-8-6-7-18(15-20)16-23-25(30)27-21-17-19(9-10-22(21)32-23)24(29)26-11-14-28-12-4-2-3-5-13-28/h6-10,15-17H,2-5,11-14H2,1H3,(H,26,29)(H,27,30)/p+1