1,1-diphenyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-1-ol

Systemtic Name: 1,1-diphenyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-1-ol Openeye Name: 1,1-diphenyl-5-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-yn-1-ol CAS Name: 1,1-diphenyl-5-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]-3-pentyn-1-ol IUPAC Name: 1,1-diphenyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-1-ol Traditional Name: 1,1-diphenyl-5-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-yn-1-ol Formula: C27H29N2O+ MolecularWeight: 397.53196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC#CCC(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC#CCC(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H28N2O/c30-27(24-13-3-1-4-14-24,25-15-5-2-6-16-25)18-8-10-21-29-20-9-7-17-26(29)23-12-11-19-28-22-23/h1-6,11-16,19,22,26,30H,7,9,17-18,20-21H2/p+1/t26-/m0/s1