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

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-2-quinolyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-2-quinolinyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-yl)quinolin-2-yl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-2-quinolyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C25H26N5OS+ MolecularWeight: 444.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H25N5OS/c31-24(26-17-9-10-17)16-29-11-13-30(14-12-29)23-15-19(18-5-1-2-6-20(18)27-23)25-28-21-7-3-4-8-22(21)32-25/h1-8,15,17H,9-14,16H2,(H,26,31)/p+1