[(1S)-1-phenyl-4-piperidin-1-ium-1-yl-but-2-ynyl] ethanoate

Systemtic Name: [(1S)-1-phenyl-4-piperidin-1-ium-1-yl-but-2-ynyl] ethanoate Openeye Name: [(1S)-1-phenyl-4-piperidin-1-ium-1-yl-but-2-ynyl] acetate CAS Name: acetic acid [(1S)-1-phenyl-4-(1-piperidin-1-iumyl)but-2-ynyl] ester IUPAC Name: [(1S)-1-phenyl-4-piperidin-1-ium-1-ylbut-2-ynyl] acetate Traditional Name: acetic acid [(1S)-1-phenyl-4-piperidin-1-ium-1-yl-but-2-ynyl] ester Formula: C17H22NO2+ MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CC[NH+]1CCCCC1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@H](C#CC[NH+]1CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO2/c1-15(19)20-17(16-9-4-2-5-10-16)11-8-14-18-12-6-3-7-13-18/h2,4-5,9-10,17H,3,6-7,12-14H2,1H3/p+1/t17-/m1/s1