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

Systemtic Name: 2-ethyl-5-[[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-ethyl-5-[[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile CAS Name: 2-ethyl-5-[[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-4-oxazolecarbonitrile IUPAC Name: 2-ethyl-5-[[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-ethyl-5-[[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(O1)NCC(C2=CC=CS2)[NH+]3CCCCC3)C#N

Isomeric SMILES

CCC1=NC(=C(O1)NC[C@@H](C2=CC=CS2)[NH+]3CCCCC3)C#N

InChI

InChI=1S/C17H22N4OS/c1-2-16-20-13(11-18)17(22-16)19-12-14(15-7-6-10-23-15)21-8-4-3-5-9-21/h6-7,10,14,19H,2-5,8-9,12H2,1H3/p+1/t14-/m0/s1