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

Systemtic Name: N-(3-cyanophenyl)-5-[(2S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(3-cyanophenyl)-5-[(2S)-1-[(5-methyl-2-furyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(3-cyanophenyl)-5-[(2S)-1-[(5-methyl-2-furanyl)methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(3-cyanophenyl)-5-[(2S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(3-cyanophenyl)-5-[(2S)-1-[(5-methyl-2-furyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C22H22N3O2S+ MolecularWeight: 392.49398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCCC2C3=CC=C(S3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H21N3O2S/c1-15-7-8-18(27-15)14-25-11-3-6-19(25)20-9-10-21(28-20)22(26)24-17-5-2-4-16(12-17)13-23/h2,4-5,7-10,12,19H,3,6,11,14H2,1H3,(H,24,26)/p+1/t19-/m0/s1