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

Systemtic Name: (3R,4R)-1-[(4-methoxy-3-methyl-phenyl)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-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-hydroxy-1-piperidin-1-iumyl)-1-[(4-methoxy-3-methylphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-3-ol Formula: C19H32N2O3+2 MolecularWeight: 336.46898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3/c1-14-11-15(3-4-19(14)24-2)12-20-8-7-17(18(23)13-20)21-9-5-16(22)6-10-21/h3-4,11,16-18,22-23H,5-10,12-13H2,1-2H3/p+2/t17-,18-/m1/s1