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

Systemtic Name: 5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-(4-methoxyphenyl)oxazole-4-carbonitrile CAS Name: 5-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-2-(4-methoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-(4-methoxyphenyl)oxazole-4-carbonitrile Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(O2)NCC(C3=CC=CO3)[NH+]4CCCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(O2)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4)C#N

InChI

InChI=1S/C22H24N4O3/c1-27-17-9-7-16(8-10-17)21-25-18(14-23)22(29-21)24-15-19(20-6-5-13-28-20)26-11-3-2-4-12-26/h5-10,13,19,24H,2-4,11-12,15H2,1H3/p+1/t19-/m0/s1