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

Systemtic Name: 2-phenyl-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-phenyl-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile CAS Name: 2-phenyl-5-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-4-oxazolecarbonitrile IUPAC Name: 2-phenyl-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-phenyl-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=C(N=C(O2)C3=CC=CC=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC2=C(N=C(O2)C3=CC=CC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C20H20N4OS/c21-13-16-20(25-19(23-16)15-7-2-1-3-8-15)22-14-17(18-9-6-12-26-18)24-10-4-5-11-24/h1-3,6-9,12,17,22H,4-5,10-11,14H2/p+1/t17-/m0/s1