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

Systemtic Name: 5-[(2R)-1-[(3-cyanophenyl)methyl]pyrrolidin-1-ium-2-yl]-N-cyclopentyl-thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-[(3-cyanophenyl)methyl]pyrrolidin-1-ium-2-yl]-N-cyclopentyl-thiophene-2-carboxamide CAS Name: 5-[(2R)-1-[(3-cyanophenyl)methyl]-2-pyrrolidin-1-iumyl]-N-cyclopentyl-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-[(3-cyanophenyl)methyl]pyrrolidin-1-ium-2-yl]-N-cyclopentylthiophene-2-carboxamide Traditional Name: 5-[(2R)-1-(3-cyanobenzyl)pyrrolidin-1-ium-2-yl]-N-cyclopentyl-thiophene-2-carboxamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=C(S2)C3CCC[NH+]3CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H25N3OS/c23-14-16-5-3-6-17(13-16)15-25-12-4-9-19(25)20-10-11-21(27-20)22(26)24-18-7-1-2-8-18/h3,5-6,10-11,13,18-19H,1-2,4,7-9,12,15H2,(H,24,26)/p+1/t19-/m1/s1