(3S)-1-[1-[(2-methylfuran-3-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[1-[(2-methylfuran-3-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[1-[(2-methyl-3-furyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[1-[(2-methyl-3-furanyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[1-[(2-methylfuran-3-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[1-[(2-methyl-3-furyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-ol Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=C(C=CO1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C16H26N2O2/c1-13-14(6-10-20-13)11-17-8-4-15(5-9-17)18-7-2-3-16(19)12-18/h6,10,15-16,19H,2-5,7-9,11-12H2,1H3/p+2/t16-/m0/s1