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

Systemtic Name: 2-(2-methylpropyl)-5-[[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-isobutyl-5-[[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile CAS Name: 2-(2-methylpropyl)-5-[[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-4-oxazolecarbonitrile IUPAC Name: 2-(2-methylpropyl)-5-[[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-isobutyl-5-[[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(O1)NCC(C2=CC=CS2)[NH+]3CCCCC3)C#N

Isomeric SMILES

CC(C)CC1=NC(=C(O1)NC[C@@H](C2=CC=CS2)[NH+]3CCCCC3)C#N

InChI

InChI=1S/C19H26N4OS/c1-14(2)11-18-22-15(12-20)19(24-18)21-13-16(17-7-6-10-25-17)23-8-4-3-5-9-23/h6-7,10,14,16,21H,3-5,8-9,11,13H2,1-2H3/p+1/t16-/m0/s1