3-oxidanylidene-N-(1-phenylethyl)-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-(1-phenylethyl)-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-(1-phenylethyl)-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-(1-phenylethyl)-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-(1-phenylethyl)-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-(1-phenylethyl)-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCC4

InChI

InChI=1S/C21H23N3O2S/c1-14(15-7-3-2-4-8-15)22-19(25)16-9-10-18-17(13-16)23-20(26)21(27-18)24-11-5-6-12-24/h2-4,7-10,13-14,21H,5-6,11-12H2,1H3,(H,22,25)(H,23,26)/p+1