N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-(2-piperidin-1-ium-1-ylethyl)benzofuran-2-carboxamide CAS Name: N-[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-(2-piperidin-1-ium-1-ylethyl)coumarilamide Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN(CC2CCC[NH+](C2)C3CCCC3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CC[NH+](CC1)CCN(C[C@H]2CCC[NH+](C2)C3CCCC3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H39N3O2/c31-27(26-19-23-10-2-5-13-25(23)32-26)30(18-17-28-14-6-1-7-15-28)21-22-9-8-16-29(20-22)24-11-3-4-12-24/h2,5,10,13,19,22,24H,1,3-4,6-9,11-12,14-18,20-21H2/p+2/t22-/m0/s1