N-(1-methylpiperidin-1-ium-4-yl)-5-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-5-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-5-[(2R)-1-(2-pyridylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-5-[(2R)-1-(2-pyridinylmethyl)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-5-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-5-[(2R)-1-(2-pyridylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H30N4OS+2 MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=CC=C(S2)C3CCC[NH+]3CC4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC4=CC=CC=N4

InChI

InChI=1S/C21H28N4OS/c1-24-13-9-16(10-14-24)23-21(26)20-8-7-19(27-20)18-6-4-12-25(18)15-17-5-2-3-11-22-17/h2-3,5,7-8,11,16,18H,4,6,9-10,12-15H2,1H3,(H,23,26)/p+2/t18-/m1/s1