(3R)-6-(azepan-1-ium-1-yl)-2-methyl-3-phenyl-hex-4-yn-3-ol

Systemtic Name: (3R)-6-(azepan-1-ium-1-yl)-2-methyl-3-phenyl-hex-4-yn-3-ol Openeye Name: (3R)-6-(azepan-1-ium-1-yl)-2-methyl-3-phenyl-hex-4-yn-3-ol CAS Name: (3R)-6-(1-azepan-1-iumyl)-2-methyl-3-phenyl-4-hexyn-3-ol IUPAC Name: (3R)-6-(azepan-1-ium-1-yl)-2-methyl-3-phenylhex-4-yn-3-ol Traditional Name: (3R)-6-(azepan-1-ium-1-yl)-2-methyl-3-phenyl-hex-4-yn-3-ol Formula: C19H28NO+ MolecularWeight: 286.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC[NH+]1CCCCCC1)(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)[C@](C#CC[NH+]1CCCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C19H27NO/c1-17(2)19(21,18-11-6-5-7-12-18)13-10-16-20-14-8-3-4-9-15-20/h5-7,11-12,17,21H,3-4,8-9,14-16H2,1-2H3/p+1/t19-/m1/s1