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

Systemtic Name: [(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]-[4-(1-piperidyl)phenyl]methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]-[4-(1-piperidinyl)phenyl]methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidino]-(4-piperidinophenyl)methanone Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2O)C(=O)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C22H34N4O2/c1-23-13-15-25(16-14-23)20-9-12-26(17-21(20)27)22(28)18-5-7-19(8-6-18)24-10-3-2-4-11-24/h5-8,20-21,27H,2-4,9-17H2,1H3/p+1/t20-,21-/m1/s1