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

Systemtic Name: 3-(4-dimethylaminophenyl)-1-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(4-dimethylaminophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]propan-1-one CAS Name: 3-(4-dimethylaminophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-dimethylaminophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(4-dimethylaminophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]propan-1-one Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3/c1-22(2)17-6-3-16(4-7-17)5-8-21(27)24-14-11-19(20(26)15-24)23-12-9-18(25)10-13-23/h3-4,6-7,18-20,25-26H,5,8-15H2,1-2H3/p+1/t19-,20-/m1/s1