N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]propionamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3S/c27-22(9-10-26-20-7-3-4-8-21(20)30-17-23(26)28)24-15-18-5-1-2-6-19(18)16-25-11-13-29-14-12-25/h1-8H,9-17H2,(H,24,27)/p+1