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

Systemtic Name: 5-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(4-pyridylmethyl)thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[(1-methyl-2-imidazolyl)methyl]-2-pyrrolidin-1-iumyl]-N-(pyridin-4-ylmethyl)-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-ium-2-yl]-N-(4-pyridylmethyl)thiophene-2-carboxamide Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCCC2C3=CC=C(S3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C20H23N5OS/c1-24-12-10-22-19(24)14-25-11-2-3-16(25)17-4-5-18(27-17)20(26)23-13-15-6-8-21-9-7-15/h4-10,12,16H,2-3,11,13-14H2,1H3,(H,23,26)/p+1/t16-/m0/s1