(3R,4R)-1-(oxan-4-yl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(oxan-4-yl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-phenethylpiperazin-4-ium-1-yl)-1-tetrahydropyran-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(4-oxanyl)-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(oxan-4-yl)-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-phenethylpiperazin-4-ium-1-yl)-1-tetrahydropyran-4-yl-piperidin-1-ium-3-ol Formula: C22H37N3O2+2 MolecularWeight: 375.54808

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CC[NH+](CC2)CCC3=CC=CC=C3)O)C4CCOCC4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CC[NH+](CC2)CCC3=CC=CC=C3)O)C4CCOCC4

InChI

InChI=1S/C22H35N3O2/c26-22-18-25(20-8-16-27-17-9-20)11-7-21(22)24-14-12-23(13-15-24)10-6-19-4-2-1-3-5-19/h1-5,20-22,26H,6-18H2/p+2/t21-,22-/m1/s1