N-isoquinolin-5-yl-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-isoquinolin-5-yl-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(5-isoquinolyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(5-isoquinolinyl)-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-isoquinolin-5-yl-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(5-isoquinolyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C18H18N3OS+ MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C18H17N3OS/c22-18(17-7-6-16(23-17)15-5-2-9-20-15)21-14-4-1-3-12-11-19-10-8-13(12)14/h1,3-4,6-8,10-11,15,20H,2,5,9H2,(H,21,22)/p+1/t15-/m1/s1