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

Systemtic Name: 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O2S/c28-23(12-15-27-21-10-4-5-11-22(21)30-18-24(27)29)25-16-19-8-2-3-9-20(19)17-26-13-6-1-7-14-26/h2-5,8-11H,1,6-7,12-18H2,(H,25,28)/p+1