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

Systemtic Name: [5-[1-(2-methylpropyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [5-(4-hydroxy-1-isobutyl-piperidin-1-ium-4-yl)benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [5-[4-hydroxy-1-(2-methylpropyl)-4-piperidin-1-iumyl]-2-benzofuranyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [5-[4-hydroxy-1-(2-methylpropyl)piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [5-(4-hydroxy-1-isobutyl-piperidin-1-ium-4-yl)benzofuran-2-yl]-[(4S)-4-phenylazepan-1-yl]methanone Formula: C30H39N2O3+ MolecularWeight: 475.64226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCCC(CC4)C5=CC=CC=C5)O

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCC[C@@H](CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C30H38N2O3/c1-22(2)21-31-17-13-30(34,14-18-31)26-10-11-27-25(19-26)20-28(35-27)29(33)32-15-6-9-24(12-16-32)23-7-4-3-5-8-23/h3-5,7-8,10-11,19-20,22,24,34H,6,9,12-18,21H2,1-2H3/p+1/t24-/m0/s1