N-(1-methylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyridylmethyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-N-(3-pyridinylmethyl)-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyridylmethyl)-5-[(2R)-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)N(CC2=CN=CC=C2)C(=O)C3=CC=C(S3)C4CCC[NH2+]4

Isomeric SMILES

C[NH+]1CCC(CC1)N(CC2=CN=CC=C2)C(=O)C3=CC=C(S3)[C@H]4CCC[NH2+]4

InChI

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