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

Systemtic Name: 5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-(1-naphthyl)oxazole-4-carbonitrile CAS Name: 5-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-2-(1-naphthalenyl)-4-oxazolecarbonitrile IUPAC Name: 5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-(1-naphthyl)oxazole-4-carbonitrile Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)C#N)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)C#N)C5=CC=CO5

InChI

InChI=1S/C25H24N4O2/c26-16-21-25(27-17-22(23-12-7-15-30-23)29-13-4-1-5-14-29)31-24(28-21)20-11-6-9-18-8-2-3-10-19(18)20/h2-3,6-12,15,22,27H,1,4-5,13-14,17H2/p+1/t22-/m0/s1