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

Systemtic Name: 2-methyl-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-methyl-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile CAS Name: 2-methyl-5-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-4-oxazolecarbonitrile IUPAC Name: 2-methyl-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-methyl-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile Formula: C15H19N4OS+ MolecularWeight: 303.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)NCC(C2=CC=CS2)[NH+]3CCCC3)C#N

Isomeric SMILES

CC1=NC(=C(O1)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3)C#N

InChI

InChI=1S/C15H18N4OS/c1-11-18-12(9-16)15(20-11)17-10-13(14-5-4-8-21-14)19-6-2-3-7-19/h4-5,8,13,17H,2-3,6-7,10H2,1H3/p+1/t13-/m0/s1