[5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-morpholin-4-yl-methanone Openeye Name: [5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-morpholino-methanone CAS Name: [5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-(4-morpholinyl)methanone IUPAC Name: [5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-morpholin-4-ylmethanone Traditional Name: [5-[1-[(2R)-2,6-dimethylhept-5-enyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-morpholino-methanone Formula: C27H39N2O4+ MolecularWeight: 455.60956

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCOCC4)O

Isomeric SMILES

C[C@H](CCC=C(C)C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCOCC4)O

InChI

InChI=1S/C27H38N2O4/c1-20(2)5-4-6-21(3)19-28-11-9-27(31,10-12-28)23-7-8-24-22(17-23)18-25(33-24)26(30)29-13-15-32-16-14-29/h5,7-8,17-18,21,31H,4,6,9-16,19H2,1-3H3/p+1/t21-/m1/s1