[(4R)-4-oxidanyl-4-phenyl-4-pyridin-3-yl-but-2-ynyl]-dipropyl-azanium

Systemtic Name: [(4R)-4-oxidanyl-4-phenyl-4-pyridin-3-yl-but-2-ynyl]-dipropyl-azanium Openeye Name: [(4R)-4-hydroxy-4-phenyl-4-(3-pyridyl)but-2-ynyl]-dipropyl-ammonium CAS Name: [(4R)-4-hydroxy-4-phenyl-4-(3-pyridinyl)but-2-ynyl]-dipropylammonium IUPAC Name: [(4R)-4-hydroxy-4-phenyl-4-pyridin-3-ylbut-2-ynyl]-dipropylazanium Traditional Name: [(4R)-4-hydroxy-4-phenyl-4-(3-pyridyl)but-2-ynyl]-dipropyl-ammonium Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-3-15-23(16-4-2)17-9-13-21(24,19-10-6-5-7-11-19)20-12-8-14-22-18-20/h5-8,10-12,14,18,24H,3-4,15-17H2,1-2H3/p+1/t21-/m0/s1