2-[(2S)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2S)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)ethanamide Openeye Name: 2-[(2S)-1-(3-furylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)acetamide CAS Name: 2-[(2S)-1-(3-furanylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[3-(1-indazolyl)propyl]acetamide IUPAC Name: 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)acetamide Traditional Name: 2-[(2S)-1-(3-furfuryl)-3-keto-piperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)acetamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CC4=COC=C4

Isomeric SMILES

C1C[NH+]([C@H](C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CC4=COC=C4

InChI

InChI=1S/C21H25N5O3/c27-20(22-7-3-9-26-18-5-2-1-4-17(18)13-24-26)12-19-21(28)23-8-10-25(19)14-16-6-11-29-15-16/h1-2,4-6,11,13,15,19H,3,7-10,12,14H2,(H,22,27)(H,23,28)/p+1/t19-/m0/s1