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

Systemtic Name: [2-(5-ethylthiophen-2-yl)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(5-ethyl-2-thienyl)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(5-ethyl-2-thiophenyl)-4-quinolinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(5-ethylthiophen-2-yl)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(5-ethyl-2-thienyl)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H23N3OS/c1-3-15-8-9-20(26-15)19-14-17(16-6-4-5-7-18(16)22-19)21(25)24-12-10-23(2)11-13-24/h4-9,14H,3,10-13H2,1-2H3/p+1