3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCN2C(=O)CSC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCN2C(=O)CSC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c27-22(12-15-26-20-8-4-5-9-21(20)29-17-23(26)28)24-19-10-13-25(14-11-19)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,24,27)/p+1