2-(4-methylquinolin-2-yl)sulfanyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CC[NH+](CC3)CC4CCCO4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CC[NH+](CC3)C[C@H]4CCCO4

InChI

InChI=1S/C21H27N3O2S/c1-16-13-20(22-19-7-3-2-6-18(16)19)27-15-21(25)24-10-8-23(9-11-24)14-17-5-4-12-26-17/h2-3,6-7,13,17H,4-5,8-12,14-15H2,1H3/p+1/t17-/m1/s1