3-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-3-azabicyclo[3.3.1]nonane-7-carboxylate

Systemtic Name: 3-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-3-azabicyclo[3.3.1]nonane-7-carboxylate Openeye Name: 3-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-3-azabicyclo[3.3.1]nonane-7-carboxylate CAS Name: 3-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-3-azabicyclo[3.3.1]nonane-7-carboxylate IUPAC Name: 3-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-3-azabicyclo[3.3.1]nonane-7-carboxylate Traditional Name: 3-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-3-azabicyclo[3.3.1]nonane-7-carboxylate Formula: C20H21N4O2S- MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(CC1CN(C2)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4)C(=O)[O-]

Isomeric SMILES

C1C2CC(CC1CN(C2)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4)C(=O)[O-]

InChI

InChI=1S/C20H22N4O2S/c25-20(26)15-6-13-5-14(7-15)11-24(10-13)9-12-1-2-17-16(8-12)23-18-19(27-17)22-4-3-21-18/h1-4,8,13-15H,5-7,9-11H2,(H,21,23)(H,25,26)/p-1