5-[(2S)-1-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(2-oxo-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[(2-oxo-1H-pyridin-4-yl)methyl]-2-pyrrolidin-1-iumyl]-N-[2-(1-pyrazolyl)ethyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(2-oxo-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[(2-keto-1H-pyridin-4-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide Formula: C20H24N5O2S+ MolecularWeight: 398.50186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=O)NC=C2)C3=CC=C(S3)C(=O)NCCN4C=CC=N4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC(=O)NC=C2)C3=CC=C(S3)C(=O)NCCN4C=CC=N4

InChI

InChI=1S/C20H23N5O2S/c26-19-13-15(6-8-21-19)14-24-10-1-3-16(24)17-4-5-18(28-17)20(27)22-9-12-25-11-2-7-23-25/h2,4-8,11,13,16H,1,3,9-10,12,14H2,(H,21,26)(H,22,27)/p+1/t16-/m0/s1