[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]-(1-piperidin-1-ium-1-ylcyclohexyl)methanone

Systemtic Name: [(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]-(1-piperidin-1-ium-1-ylcyclohexyl)methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]-(1-piperidin-1-ium-1-ylcyclohexyl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]-[1-(1-piperidin-1-iumyl)cyclohexyl]methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]-(1-piperidin-1-ium-1-ylcyclohexyl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidino]-(1-piperidin-1-ium-1-ylcyclohexyl)methanone Formula: C22H42N4O2+2 MolecularWeight: 394.59448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2O)C(=O)C3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)C3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C22H40N4O2/c1-23-14-16-24(17-15-23)19-8-13-25(18-20(19)27)21(28)22(9-4-2-5-10-22)26-11-6-3-7-12-26/h19-20,27H,2-18H2,1H3/p+2/t19-,20-/m1/s1