[5-(1-cyclopentyl-4-oxidanyl-piperidin-1-ium-4-yl)-1-benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone

Systemtic Name: [5-(1-cyclopentyl-4-oxidanyl-piperidin-1-ium-4-yl)-1-benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [5-(1-cyclopentyl-4-hydroxy-piperidin-1-ium-4-yl)benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [5-(1-cyclopentyl-4-hydroxy-4-piperidin-1-iumyl)-2-benzofuranyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [5-(1-cyclopentyl-4-hydroxypiperidin-1-ium-4-yl)-1-benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [5-(1-cyclopentyl-4-hydroxy-piperidin-1-ium-4-yl)benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone Formula: C31H39N2O3+ MolecularWeight: 487.65296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCCC(CC5)C6=CC=CC=C6)O

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCC[C@@H](CC5)C6=CC=CC=C6)O

InChI

InChI=1S/C31H38N2O3/c34-30(33-17-6-9-24(14-18-33)23-7-2-1-3-8-23)29-22-25-21-26(12-13-28(25)36-29)31(35)15-19-32(20-16-31)27-10-4-5-11-27/h1-3,7-8,12-13,21-22,24,27,35H,4-6,9-11,14-20H2/p+1/t24-/m0/s1