ethyl N-[(2S)-2-piperidin-1-ium-1-ylbut-3-ynyl]carbamate

Systemtic Name: ethyl N-[(2S)-2-piperidin-1-ium-1-ylbut-3-ynyl]carbamate Openeye Name: ethyl N-[(2S)-2-piperidin-1-ium-1-ylbut-3-ynyl]carbamate CAS Name: N-[(2S)-2-(1-piperidin-1-iumyl)but-3-ynyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(2S)-2-piperidin-1-ium-1-ylbut-3-ynyl]carbamate Traditional Name: N-[(2S)-2-piperidin-1-ium-1-ylbut-3-ynyl]carbamic acid ethyl ester Formula: C12H21N2O2+ MolecularWeight: 225.30734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCC(C#C)[NH+]1CCCCC1

Isomeric SMILES

CCOC(=O)NC[C@H](C#C)[NH+]1CCCCC1

InChI

InChI=1S/C12H20N2O2/c1-3-11(10-13-12(15)16-4-2)14-8-6-5-7-9-14/h1,11H,4-10H2,2H3,(H,13,15)/p+1/t11-/m0/s1