(2R)-1-(azepan-1-ium-1-yl)-3-[(3S)-3-methylpent-1-yn-3-yl]oxy-propan-2-ol

Systemtic Name: (2R)-1-(azepan-1-ium-1-yl)-3-[(3S)-3-methylpent-1-yn-3-yl]oxy-propan-2-ol Openeye Name: (2R)-1-(azepan-1-ium-1-yl)-3-[(1S)-1-ethyl-1-methyl-prop-2-ynoxy]propan-2-ol CAS Name: (2R)-1-(1-azepan-1-iumyl)-3-[(3S)-3-methylpent-1-yn-3-yl]oxy-2-propanol IUPAC Name: (2R)-1-(azepan-1-ium-1-yl)-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropan-2-ol Traditional Name: (2R)-1-(azepan-1-ium-1-yl)-3-[(1S)-1-ethyl-1-methyl-prop-2-ynoxy]propan-2-ol Formula: C15H28NO2+ MolecularWeight: 254.38832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OCC(C[NH+]1CCCCCC1)O

Isomeric SMILES

CC[C@@](C)(C#C)OC[C@@H](C[NH+]1CCCCCC1)O

InChI

InChI=1S/C15H27NO2/c1-4-15(3,5-2)18-13-14(17)12-16-10-8-6-7-9-11-16/h1,14,17H,5-13H2,2-3H3/p+1/t14-,15-/m1/s1