(3R,4R)-1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(4-hydroxy-3,5-dimethyl-benzyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H33N3O2+2 MolecularWeight: 335.48422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+]2CCC(C(C2)O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+]2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H31N3O2/c1-14-10-16(11-15(2)19(14)24)12-21-5-4-17(18(23)13-21)22-8-6-20(3)7-9-22/h10-11,17-18,23-24H,4-9,12-13H2,1-3H3/p+2/t17-,18-/m1/s1