(3R,4R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(6-methoxyindan-5-yl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-hydroxy-1-piperidin-1-iumyl)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(6-methoxyindan-5-yl)methyl]piperidin-1-ium-3-ol Formula: C21H34N2O3+2 MolecularWeight: 362.50626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCCC2=C1)C[NH+]3CCC(C(C3)O)[NH+]4CCC(CC4)O

Isomeric SMILES

COC1=C(C=C2CCCC2=C1)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCC(CC4)O

InChI

InChI=1S/C21H32N2O3/c1-26-21-12-16-4-2-3-15(16)11-17(21)13-22-8-7-19(20(25)14-22)23-9-5-18(24)6-10-23/h11-12,18-20,24-25H,2-10,13-14H2,1H3/p+2/t19-,20-/m1/s1