3-(3,5-dimethylphenyl)-1-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethylphenyl)-1-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethylphenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]propan-1-one CAS Name: 3-(3,5-dimethylphenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(3,5-dimethylphenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethylphenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]propan-1-one Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CCC(=O)N2CCC(C(C2)O)[NH+]3CCC(CC3)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CCC(=O)N2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O)C

InChI

InChI=1S/C21H32N2O3/c1-15-11-16(2)13-17(12-15)3-4-21(26)23-10-7-19(20(25)14-23)22-8-5-18(24)6-9-22/h11-13,18-20,24-25H,3-10,14H2,1-2H3/p+1/t19-,20-/m1/s1