2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamide

Systemtic Name: 2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamide Openeye Name: 2-[(2R)-1-(3-furylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide CAS Name: 2-[(2R)-1-(3-furanylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-methyl-2-benzimidazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide Traditional Name: 2-[(2R)-1-(3-furfuryl)-3-keto-piperazin-1-ium-2-yl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CCNC(=O)CC3C(=O)NCC[NH+]3CC4=COC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CCNC(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=COC=C4

InChI

InChI=1S/C21H25N5O3/c1-25-17-5-3-2-4-16(17)24-19(25)6-8-22-20(27)12-18-21(28)23-9-10-26(18)13-15-7-11-29-14-15/h2-5,7,11,14,18H,6,8-10,12-13H2,1H3,(H,22,27)(H,23,28)/p+1/t18-/m1/s1