(4-methylpiperazin-4-ium-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[2-(5-methyl-2-thienyl)-4-quinolyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(5-methyl-2-thiophenyl)-4-quinolinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-(5-methyl-2-thienyl)-4-quinolyl]methanone Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H21N3OS/c1-14-7-8-19(25-14)18-13-16(15-5-3-4-6-17(15)21-18)20(24)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3/p+1