(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one

Systemtic Name: (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one Openeye Name: (2R)-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one CAS Name: (2R)-1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one Traditional Name: (2R)-1-[(3R,5R)-3,5-dimethylpiperidino]-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propan-1-one Formula: C20H39N3O+2 MolecularWeight: 337.54316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)[NH+]2CCC(CC2)[NH+]3CCCCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)[C@@H](C)[NH+]2CCC(CC2)[NH+]3CCCCC3)C

InChI

InChI=1S/C20H37N3O/c1-16-13-17(2)15-23(14-16)20(24)18(3)21-11-7-19(8-12-21)22-9-5-4-6-10-22/h16-19H,4-15H2,1-3H3/p+2/t16-,17-,18-/m1/s1