(3R,4R)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[[3-(5-methyl-2-furyl)phenyl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[3-(5-methyl-2-furanyl)phenyl]methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[3-(5-methyl-2-furyl)benzyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C21H30N2O3+2 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CC(=CC=C2)C[NH+]3CCC(C(C3)O)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)C2=CC(=CC=C2)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N2O3/c1-16-5-6-21(26-16)18-4-2-3-17(13-18)14-22-8-7-19(20(24)15-22)23-9-11-25-12-10-23/h2-6,13,19-20,24H,7-12,14-15H2,1H3/p+2/t19-,20-/m1/s1