[(2R)-6-[(3S)-3-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-2-yl] ethanoate

Systemtic Name: [(2R)-6-[(3S)-3-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-2-yl] ethanoate Openeye Name: [(1R)-1-methyl-5-[(3S)-3-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-ynyl] acetate CAS Name: acetic acid [(2R)-6-[(3S)-3-(3-pyridinyl)-1-piperidin-1-iumyl]hex-4-yn-2-yl] ester IUPAC Name: [(2R)-6-[(3S)-3-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-2-yl] acetate Traditional Name: acetic acid [(1R)-1-methyl-5-[(3S)-3-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-ynyl] ester Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC[NH+]1CCCC(C1)C2=CN=CC=C2)OC(=O)C

Isomeric SMILES

C[C@H](CC#CC[NH+]1CCC[C@H](C1)C2=CN=CC=C2)OC(=O)C

InChI

InChI=1S/C18H24N2O2/c1-15(22-16(2)21)7-3-4-11-20-12-6-9-18(14-20)17-8-5-10-19-13-17/h5,8,10,13,15,18H,6-7,9,11-12,14H2,1-2H3/p+1/t15-,18-/m1/s1