5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-1-ium-2-yl]-N-pyridin-4-yl-thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-1-ium-2-yl]-N-pyridin-4-yl-thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-(o-tolylmethyl)pyrrolidin-1-ium-2-yl]-N-(4-pyridyl)thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[(2-methylphenyl)methyl]-2-pyrrolidin-1-iumyl]-N-pyridin-4-yl-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-1-ium-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide Traditional Name: 5-[(2S)-1-(2-methylbenzyl)pyrrolidin-1-ium-2-yl]-N-(4-pyridyl)thiophene-2-carboxamide Formula: C22H24N3OS+ MolecularWeight: 378.51046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC2C3=CC=C(S3)C(=O)NC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C22H23N3OS/c1-16-5-2-3-6-17(16)15-25-14-4-7-19(25)20-8-9-21(27-20)22(26)24-18-10-12-23-13-11-18/h2-3,5-6,8-13,19H,4,7,14-15H2,1H3,(H,23,24,26)/p+1/t19-/m0/s1