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

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-keto-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C21H32N4O3S+2 MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

InChI

InChI=1S/C21H30N4O3S/c26-19(22-7-10-24-8-3-1-2-4-9-24)16-5-6-18-17(15-16)23-20(27)21(29-18)25-11-13-28-14-12-25/h5-6,15,21H,1-4,7-14H2,(H,22,26)(H,23,27)/p+2