(2S)-1-[(5-ethanoylthiophen-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(5-ethanoylthiophen-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(5-acetyl-3-thienyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(5-acetyl-3-thiophenyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(5-acetylthiophen-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(5-acetyl-3-thienyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H22N4O2S/c1-15(26)20-11-16(14-28-20)13-24-9-3-7-19(24)21(27)23-17-5-2-6-18(12-17)25-10-4-8-22-25/h2,4-6,8,10-12,14,19H,3,7,9,13H2,1H3,(H,23,27)/p+1/t19-/m0/s1