2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(2R)-1-cyclopentyl-3-oxo-piperazin-1-ium-2-yl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(2R)-1-cyclopentyl-3-oxo-2-piperazin-1-iumyl]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-1-cyclopentyl-3-oxopiperazin-1-ium-2-yl]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(2R)-1-cyclopentyl-3-keto-piperazin-1-ium-2-yl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H36N4O2+2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

C1CCC(C1)[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H34N4O2/c28-22(15-21-23(29)24-11-14-27(21)20-5-1-2-6-20)25-16-18-7-9-19(10-8-18)17-26-12-3-4-13-26/h7-10,20-21H,1-6,11-17H2,(H,24,29)(H,25,28)/p+2/t21-/m1/s1