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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C

InChI

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