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

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-keto-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C22H34N4O3S+2 MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3S/c27-20(23-8-5-11-25-9-3-1-2-4-10-25)17-6-7-19-18(16-17)24-21(28)22(30-19)26-12-14-29-15-13-26/h6-7,16,22H,1-5,8-15H2,(H,23,27)(H,24,28)/p+2