2-[(2S)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2S)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamide Openeye Name: 2-[(2S)-1-cyclopentyl-3-oxo-piperazin-1-ium-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide CAS Name: 2-[(2S)-1-cyclopentyl-3-oxo-2-piperazin-1-iumyl]-N-[(1-methyl-2-benzimidazolyl)methyl]acetamide IUPAC Name: 2-[(2S)-1-cyclopentyl-3-oxopiperazin-1-ium-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide Traditional Name: 2-[(2S)-1-cyclopentyl-3-keto-piperazin-1-ium-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)CC3C(=O)NCC[NH+]3C4CCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)C[C@H]3C(=O)NCC[NH+]3C4CCCC4

InChI

InChI=1S/C20H27N5O2/c1-24-16-9-5-4-8-15(16)23-18(24)13-22-19(26)12-17-20(27)21-10-11-25(17)14-6-2-3-7-14/h4-5,8-9,14,17H,2-3,6-7,10-13H2,1H3,(H,21,27)(H,22,26)/p+1/t17-/m0/s1