2-tert-butyl-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-tert-butyl-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-tert-butyl-5-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]oxazole-4-carbonitrile CAS Name: 2-tert-butyl-5-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-4-oxazolecarbonitrile IUPAC Name: 2-tert-butyl-5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-tert-butyl-5-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]oxazole-4-carbonitrile Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(O1)NCC(C2=CC=CO2)[NH+]3CCCCC3)C#N

Isomeric SMILES

CC(C)(C)C1=NC(=C(O1)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)C#N

InChI

InChI=1S/C19H26N4O2/c1-19(2,3)18-22-14(12-20)17(25-18)21-13-15(16-8-7-11-24-16)23-9-5-4-6-10-23/h7-8,11,15,21H,4-6,9-10,13H2,1-3H3/p+1/t15-/m0/s1