tert-butyl-ethyl-[(2-methyl-5-piperazin-4-ium-1-ylcarbonyl-furan-3-yl)methyl]azanium

Systemtic Name: tert-butyl-ethyl-[(2-methyl-5-piperazin-4-ium-1-ylcarbonyl-furan-3-yl)methyl]azanium Openeye Name: tert-butyl-ethyl-[[2-methyl-5-(piperazin-4-ium-1-carbonyl)-3-furyl]methyl]ammonium CAS Name: tert-butyl-ethyl-[[2-methyl-5-[oxo(1-piperazin-4-iumyl)methyl]-3-furanyl]methyl]ammonium IUPAC Name: tert-butyl-ethyl-[[2-methyl-5-(piperazin-4-ium-1-carbonyl)furan-3-yl]methyl]azanium Traditional Name: tert-butyl-ethyl-[[2-methyl-5-(piperazin-4-ium-1-carbonyl)-3-furyl]methyl]ammonium Formula: C17H31N3O2+2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(OC(=C1)C(=O)N2CC[NH2+]CC2)C)C(C)(C)C

Isomeric SMILES

CC[NH+](CC1=C(OC(=C1)C(=O)N2CC[NH2+]CC2)C)C(C)(C)C

InChI

InChI=1S/C17H29N3O2/c1-6-20(17(3,4)5)12-14-11-15(22-13(14)2)16(21)19-9-7-18-8-10-19/h11,18H,6-10,12H2,1-5H3/p+2