(3R,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(4,5-dimethyl-2-furyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(4,5-dimethyl-2-furanyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(4,5-dimethyl-2-furyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C21H33N4O2+3 MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C21H30N4O2/c1-16-13-18(27-17(16)2)14-23-8-6-19(20(26)15-23)24-9-11-25(12-10-24)21-5-3-4-7-22-21/h3-5,7,13,19-20,26H,6,8-12,14-15H2,1-2H3/p+3/t19-,20-/m1/s1