(1S)-1-phenyl-1-pyridin-3-yl-4-pyrrolidin-1-ium-1-yl-but-2-yn-1-ol

Systemtic Name: (1S)-1-phenyl-1-pyridin-3-yl-4-pyrrolidin-1-ium-1-yl-but-2-yn-1-ol Openeye Name: (1S)-1-phenyl-1-(3-pyridyl)-4-pyrrolidin-1-ium-1-yl-but-2-yn-1-ol CAS Name: (1S)-1-phenyl-1-(3-pyridinyl)-4-(1-pyrrolidin-1-iumyl)-2-butyn-1-ol IUPAC Name: (1S)-1-phenyl-1-pyridin-3-yl-4-pyrrolidin-1-ium-1-ylbut-2-yn-1-ol Traditional Name: (1S)-1-phenyl-1-(3-pyridyl)-4-pyrrolidin-1-ium-1-yl-but-2-yn-1-ol Formula: C19H21N2O+ MolecularWeight: 293.38284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O/c22-19(17-8-2-1-3-9-17,18-10-6-12-20-16-18)11-7-15-21-13-4-5-14-21/h1-3,6,8-10,12,16,22H,4-5,13-15H2/p+1/t19-/m1/s1