2,1,3-benzothiadiazol-4-yl-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: 2,1,3-benzothiadiazol-4-yl-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]methanone Openeye Name: 2,1,3-benzothiadiazol-4-yl-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]methanone CAS Name: 2,1,3-benzothiadiazol-4-yl-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 2,1,3-benzothiadiazol-4-yl-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]methanone Traditional Name: [4-(2-methylquinolin-1-ium-4-yl)piperazino]-piazthiol-4-yl-methanone Formula: C21H20N5OS+ MolecularWeight: 390.4814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H19N5OS/c1-14-13-19(15-5-2-3-7-17(15)22-14)25-9-11-26(12-10-25)21(27)16-6-4-8-18-20(16)24-28-23-18/h2-8,13H,9-12H2,1H3/p+1