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

Systemtic Name: 2-(4-methylphenyl)-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(p-tolyl)-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile CAS Name: 2-(4-methylphenyl)-5-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-4-oxazolecarbonitrile IUPAC Name: 2-(4-methylphenyl)-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(p-tolyl)-5-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]oxazole-4-carbonitrile Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)NCC(C3=CC=CS3)[NH+]4CCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4)C#N

InChI

InChI=1S/C21H22N4OS/c1-15-6-8-16(9-7-15)20-24-17(13-22)21(26-20)23-14-18(19-5-4-12-27-19)25-10-2-3-11-25/h4-9,12,18,23H,2-3,10-11,14H2,1H3/p+1/t18-/m0/s1