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

Systemtic Name: 3-oxidanylidene-2-piperidin-1-ium-1-yl-N-(3-propan-2-yloxypropyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-(3-isopropoxypropyl)-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-2-(1-piperidin-1-iumyl)-N-(3-propan-2-yloxypropyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-2-piperidin-1-ium-1-yl-N-(3-propan-2-yloxypropyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-(3-isopropoxypropyl)-3-keto-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCCC3

InChI

InChI=1S/C20H29N3O3S/c1-14(2)26-12-6-9-21-18(24)15-7-8-17-16(13-15)22-19(25)20(27-17)23-10-4-3-5-11-23/h7-8,13-14,20H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)/p+1