4-[4-[(2-chloranyl-7-methoxy-quinolin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[(2-chloranyl-7-methoxy-quinolin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(2-chloro-7-methoxy-3-quinolyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(2-chloro-7-methoxy-3-quinolinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(2-chloro-7-methoxyquinolin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-[(2-chloro-7-methoxy-3-quinolyl)methyl]piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C21H21ClN5O3S2+ MolecularWeight: 491.00614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)Cl

InChI

InChI=1S/C21H20ClN5O3S2/c1-30-16-6-5-14-11-15(21(22)23-18(14)12-16)13-26-7-9-27(10-8-26)32(28,29)19-4-2-3-17-20(19)25-31-24-17/h2-6,11-12H,7-10,13H2,1H3/p+1