[4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C16H27N3O3S+2 MolecularWeight: 341.46888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C[NH+]2CCOCC2)O)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](C[NH+]2CCOCC2)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H25N3O3S/c20-14(13-18-7-9-22-10-8-18)12-17-3-5-19(6-4-17)16(21)15-2-1-11-23-15/h1-2,11,14,20H,3-10,12-13H2/p+2/t14-/m1/s1