N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propionamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c1-16-21(22(28)26(24(16)2)17-8-4-3-5-9-17)23-20(27)12-14-25-13-6-10-18(25)19-11-7-15-29-19/h3-5,7-9,11,15,18H,6,10,12-14H2,1-2H3,(H,23,27)/p+1/t18-/m0/s1