(3R,4R)-1-[(4-ethynylphenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(4-ethynylbenzyl)-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H28N2O2+2 MolecularWeight: 316.43782

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCC(CC3)O

Isomeric SMILES

C#CC1=CC=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C19H26N2O2/c1-2-15-3-5-16(6-4-15)13-20-10-9-18(19(23)14-20)21-11-7-17(22)8-12-21/h1,3-6,17-19,22-23H,7-14H2/p+2/t18-,19-/m1/s1