2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(3-methoxyphenyl)methylene]-3-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(3-methoxyphenyl)methylidene]-3-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(3-methoxyphenyl)methylidene]-3-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-2-m-anisylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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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+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C=C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C23H25N3O3S/c1-29-18-6-4-5-16(13-18)14-21-23(28)25-19-15-17(7-8-20(19)30-21)22(27)24-9-12-26-10-2-3-11-26/h4-8,13-15H,2-3,9-12H2,1H3,(H,24,27)(H,25,28)/p+1