tert-butyl-ethyl-[(1R)-1-(5-piperazin-4-ium-1-ylcarbonylfuran-2-yl)ethyl]azanium

Systemtic Name: tert-butyl-ethyl-[(1R)-1-(5-piperazin-4-ium-1-ylcarbonylfuran-2-yl)ethyl]azanium Openeye Name: tert-butyl-ethyl-[(1R)-1-[5-(piperazin-4-ium-1-carbonyl)-2-furyl]ethyl]ammonium CAS Name: tert-butyl-ethyl-[(1R)-1-[5-[oxo(1-piperazin-4-iumyl)methyl]-2-furanyl]ethyl]ammonium IUPAC Name: tert-butyl-ethyl-[(1R)-1-[5-(piperazin-4-ium-1-carbonyl)furan-2-yl]ethyl]azanium Traditional Name: tert-butyl-ethyl-[(1R)-1-[5-(piperazin-4-ium-1-carbonyl)-2-furyl]ethyl]ammonium Formula: C17H31N3O2+2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C)C1=CC=C(O1)C(=O)N2CC[NH2+]CC2)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@H](C)C1=CC=C(O1)C(=O)N2CC[NH2+]CC2)C(C)(C)C

InChI

InChI=1S/C17H29N3O2/c1-6-20(17(3,4)5)13(2)14-7-8-15(22-14)16(21)19-11-9-18-10-12-19/h7-8,13,18H,6,9-12H2,1-5H3/p+2/t13-/m1/s1