2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(7-methoxy-4-pyridin-3-yl-quinolin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[7-methoxy-4-(3-pyridinyl)-2-quinolinyl]thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(7-methoxy-4-pyridin-3-ylquinolin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[[7-methoxy-4-(3-pyridyl)-2-quinolyl]thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CN=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CN=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-25-8-10-26(11-9-25)22(27)15-29-21-13-19(16-4-3-7-23-14-16)18-6-5-17(28-2)12-20(18)24-21/h3-7,12-14H,8-11,15H2,1-2H3/p+1