5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiophene-2-carboxamide

Systemtic Name: 5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]thiophene-2-carboxamide CAS Name: 5-[(2R)-1-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-iumyl]-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiophene-2-carboxamide Traditional Name: 5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-1-ium-2-yl]-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]thiophene-2-carboxamide Formula: C19H24N5O2S+ MolecularWeight: 386.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN(C)C(=O)C2=CC=C(S2)C3CCC[NH+]3CC4=NC=CN4

Isomeric SMILES

CC1=NOC(=C1)CN(C)C(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC4=NC=CN4

InChI

InChI=1S/C19H23N5O2S/c1-13-10-14(26-22-13)11-23(2)19(25)17-6-5-16(27-17)15-4-3-9-24(15)12-18-20-7-8-21-18/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,20,21)/p+1/t15-/m1/s1