[(1S)-1-[5-(4-methylpiperazin-4-ium-1-yl)carbonylfuran-2-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[5-(4-methylpiperazin-4-ium-1-yl)carbonylfuran-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[5-(4-methylpiperazin-4-ium-1-carbonyl)-2-furyl]ethyl]ammonium CAS Name: [(1S)-1-[5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-furanyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-(4-methylpiperazin-4-ium-1-carbonyl)furan-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[5-(4-methylpiperazin-4-ium-1-carbonyl)-2-furyl]ethyl]ammonium Formula: C12H21N3O2+2 MolecularWeight: 239.31404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)N2CC[NH+](CC2)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)N2CC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C12H19N3O2/c1-9(13)10-3-4-11(17-10)12(16)15-7-5-14(2)6-8-15/h3-4,9H,5-8,13H2,1-2H3/p+2/t9-/m0/s1