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

Systemtic Name: [(1S)-1-[5-(4-ethylpiperazin-4-ium-1-yl)carbonylfuran-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[5-(4-ethylpiperazin-4-ium-1-carbonyl)-2-furyl]ethyl]ammonium CAS Name: [(1S)-1-[5-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-furanyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-(4-ethylpiperazin-4-ium-1-carbonyl)furan-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[5-(4-ethylpiperazin-4-ium-1-carbonyl)-2-furyl]ethyl]ammonium Formula: C13H23N3O2+2 MolecularWeight: 253.34062

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(O2)C(C)[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(O2)[C@H](C)[NH3+]

InChI

InChI=1S/C13H21N3O2/c1-3-15-6-8-16(9-7-15)13(17)12-5-4-11(18-12)10(2)14/h4-5,10H,3,6-9,14H2,1-2H3/p+2/t10-/m0/s1