2-[4-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-2-quinolyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-2-quinolinyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-2-quinolyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C25H28N5O2S+ MolecularWeight: 462.58712

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COCCNC(=O)C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N5O2S/c1-32-15-10-26-24(31)17-29-11-13-30(14-12-29)23-16-19(18-6-2-3-7-20(18)27-23)25-28-21-8-4-5-9-22(21)33-25/h2-9,16H,10-15,17H2,1H3,(H,26,31)/p+1