(2S,3S,4R,6S)-4-ethynyl-2,6-diphenyl-3-propyl-piperidin-1-ium-4-ol

Systemtic Name: (2S,3S,4R,6S)-4-ethynyl-2,6-diphenyl-3-propyl-piperidin-1-ium-4-ol Openeye Name: (2S,3S,4R,6S)-4-ethynyl-2,6-diphenyl-3-propyl-piperidin-1-ium-4-ol CAS Name: (2S,3S,4R,6S)-4-ethynyl-2,6-diphenyl-3-propyl-4-piperidin-1-iumol IUPAC Name: (2S,3S,4R,6S)-4-ethynyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-ol Traditional Name: (2S,3S,4R,6S)-4-ethynyl-2,6-diphenyl-3-propyl-piperidin-1-ium-4-ol Formula: C22H26NO+ MolecularWeight: 320.44794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C([NH2+]C(CC1(C#C)O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC[C@H]1[C@H]([NH2+][C@@H](C[C@@]1(C#C)O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO/c1-3-11-19-21(18-14-9-6-10-15-18)23-20(16-22(19,24)4-2)17-12-7-5-8-13-17/h2,5-10,12-15,19-21,23-24H,3,11,16H2,1H3/p+1/t19-,20-,21+,22+/m0/s1