1-methyl-4-[(4S)-4-methyl-4-[(2S)-oxan-2-yl]oxy-hex-2-ynyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[(4S)-4-methyl-4-[(2S)-oxan-2-yl]oxy-hex-2-ynyl]piperazin-1-ium Openeye Name: 1-methyl-4-[(4S)-4-methyl-4-[(2S)-tetrahydropyran-2-yl]oxy-hex-2-ynyl]piperazin-1-ium CAS Name: 1-methyl-4-[(4S)-4-methyl-4-[[(2S)-2-oxanyl]oxy]hex-2-ynyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(4S)-4-methyl-4-[(2S)-oxan-2-yl]oxyhex-2-ynyl]piperazin-1-ium Traditional Name: 1-methyl-4-[(4S)-4-methyl-4-[(2S)-tetrahydropyran-2-yl]oxy-hex-2-ynyl]piperazin-1-ium Formula: C17H31N2O2+ MolecularWeight: 295.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CCN1CC[NH+](CC1)C)OC2CCCCO2

Isomeric SMILES

CC[C@@](C)(C#CCN1CC[NH+](CC1)C)O[C@H]2CCCCO2

InChI

InChI=1S/C17H30N2O2/c1-4-17(2,21-16-8-5-6-15-20-16)9-7-10-19-13-11-18(3)12-14-19/h16H,4-6,8,10-15H2,1-3H3/p+1/t16-,17-/m0/s1