3-methyl-1-phenyl-6-(2-pyridin-3-ylpiperidin-1-ium-1-yl)hex-4-yn-3-olate

Systemtic Name: 3-methyl-1-phenyl-6-(2-pyridin-3-ylpiperidin-1-ium-1-yl)hex-4-yn-3-olate Openeye Name: 3-methyl-1-phenyl-6-[2-(3-pyridyl)piperidin-1-ium-1-yl]hex-4-yn-3-olate CAS Name: 3-methyl-1-phenyl-6-[2-(3-pyridinyl)-1-piperidin-1-iumyl]-4-hexyn-3-olate IUPAC Name: 3-methyl-1-phenyl-6-(2-pyridin-3-ylpiperidin-1-ium-1-yl)hex-4-yn-3-olate Traditional Name: 3-methyl-1-phenyl-6-[2-(3-pyridyl)piperidin-1-ium-1-yl]hex-4-yn-3-olate Formula: C23H28N2O MolecularWeight: 348.48122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)(C#CC[NH+]2CCCCC2C3=CN=CC=C3)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)(C#CC[NH+]2CCCCC2C3=CN=CC=C3)[O-]

InChI

InChI=1S/C23H27N2O/c1-23(26,15-13-20-9-3-2-4-10-20)14-8-18-25-17-6-5-12-22(25)21-11-7-16-24-19-21/h2-4,7,9-11,16,19,22H,5-6,12-13,15,17-18H2,1H3/q-1/p+1