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

Systemtic Name: 5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-methyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-methyl-oxazole-4-carbonitrile CAS Name: 5-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-2-methyl-4-oxazolecarbonitrile IUPAC Name: 5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-methyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-methyl-oxazole-4-carbonitrile Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)NCC(C2=CC=CO2)[NH+]3CCCCC3)C#N

Isomeric SMILES

CC1=NC(=C(O1)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)C#N

InChI

InChI=1S/C16H20N4O2/c1-12-19-13(10-17)16(22-12)18-11-14(15-6-5-9-21-15)20-7-3-2-4-8-20/h5-6,9,14,18H,2-4,7-8,11H2,1H3/p+1/t14-/m0/s1