(3R,4R)-1-(dibenzothiophen-4-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(dibenzothiophen-4-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(dibenzothiophen-4-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(4-dibenzothiophenylmethyl)-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(dibenzothiophen-4-ylmethyl)-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(dibenzothiophen-4-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C22H28N2O2S+2 MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCOCC2)O)CC3=CC=CC4=C3SC5=CC=CC=C45

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCOCC2)O)CC3=CC=CC4=C3SC5=CC=CC=C45

InChI

InChI=1S/C22H26N2O2S/c25-20-15-23(9-8-19(20)24-10-12-26-13-11-24)14-16-4-3-6-18-17-5-1-2-7-21(17)27-22(16)18/h1-7,19-20,25H,8-15H2/p+2/t19-,20-/m1/s1