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

Systemtic Name: 3-oxidanylidene-2-piperidin-1-ium-1-yl-N-(3-piperidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-2-piperidin-1-ium-1-yl-N-(3-piperidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-2-(1-piperidin-1-iumyl)-N-[3-(1-piperidin-1-iumyl)propyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-2-piperidin-1-ium-1-yl-N-(3-piperidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-2-piperidin-1-ium-1-yl-N-(3-piperidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C22H34N4O2S+2 MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

InChI

InChI=1S/C22H32N4O2S/c27-20(23-10-7-13-25-11-3-1-4-12-25)17-8-9-19-18(16-17)24-21(28)22(29-19)26-14-5-2-6-15-26/h8-9,16,22H,1-7,10-15H2,(H,23,27)(H,24,28)/p+2