(3R,4R)-4-morpholin-4-yl-1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-morpholin-4-yl-1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-morpholino-1-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-morpholinyl)-1-[[5-(1-piperidin-1-iumylmethyl)-2-thiophenyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-morpholin-4-yl-1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-morpholino-1-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-3-ol Formula: C20H35N3O2S+2 MolecularWeight: 381.5758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(S2)C[NH+]3CCC(C(C3)O)N4CCOCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(S2)C[NH+]3CC[C@H]([C@@H](C3)O)N4CCOCC4

InChI

InChI=1S/C20H33N3O2S/c24-20-16-22(9-6-19(20)23-10-12-25-13-11-23)15-18-5-4-17(26-18)14-21-7-2-1-3-8-21/h4-5,19-20,24H,1-3,6-16H2/p+2/t19-,20-/m1/s1