5-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-1-ium-2-yl]-N-pyridin-3-yl-thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-1-ium-2-yl]-N-pyridin-3-yl-thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(3-pyridyl)thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[(2-methoxy-5-pyrimidinyl)methyl]-2-pyrrolidin-1-iumyl]-N-(3-pyridinyl)-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-1-ium-2-yl]-N-pyridin-3-ylthiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(3-pyridyl)thiophene-2-carboxamide Formula: C20H22N5O2S+ MolecularWeight: 396.48598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C[NH+]2CCCC2C3=CC=C(S3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

COC1=NC=C(C=N1)C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C20H21N5O2S/c1-27-20-22-10-14(11-23-20)13-25-9-3-5-16(25)17-6-7-18(28-17)19(26)24-15-4-2-8-21-12-15/h2,4,6-8,10-12,16H,3,5,9,13H2,1H3,(H,24,26)/p+1/t16-/m0/s1