2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(8-methoxy-2-quinolyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(8-methoxy-2-quinolinyl)methyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[(8-methoxy-2-quinolyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(C=C2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC2=C1N=C(C=C2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4OS/c1-27-19-7-4-5-16-9-10-17(23-21(16)19)15-25-11-13-26(14-12-25)22-24-18-6-2-3-8-20(18)28-22/h2-10H,11-15H2,1H3/p+1