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

Systemtic Name: 2-(furan-2-yl)-5-[[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(2-furyl)-5-[[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile CAS Name: 2-(2-furanyl)-5-[[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-4-oxazolecarbonitrile IUPAC Name: 2-(furan-2-yl)-5-[[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(2-furyl)-5-[[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=C(N=C(O2)C3=CC=CO3)C#N)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC2=C(N=C(O2)C3=CC=CO3)C#N)C4=CC=CS4

InChI

InChI=1S/C19H20N4O2S/c20-12-14-18(25-19(22-14)16-6-4-10-24-16)21-13-15(17-7-5-11-26-17)23-8-2-1-3-9-23/h4-7,10-11,15,21H,1-3,8-9,13H2/p+1/t15-/m0/s1