2-[(2S)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanamide

Systemtic Name: 2-[(2S)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-[(2S)-1-cyclopentyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2S)-1-cyclopentyl-3-oxo-2-piperazin-1-iumyl]-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]acetamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-[(2S)-1-cyclopentyl-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2-[(2S)-1-cyclopentyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C24H38N4O2+2 MolecularWeight: 414.58412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)NCC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCNC(=O)[C@@H]2CC(=O)NCC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H36N4O2/c29-23(16-22-24(30)25-12-15-28(22)21-8-4-5-9-21)26-17-19-10-13-27(14-11-19)18-20-6-2-1-3-7-20/h1-3,6-7,19,21-22H,4-5,8-18H2,(H,25,30)(H,26,29)/p+2/t22-/m0/s1