2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C25H40N4O2+2 MolecularWeight: 428.6107

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C25H38N4O2/c30-23(27-20-25(12-6-2-7-13-25)29-15-8-3-9-16-29)18-22-24(31)26-14-17-28(22)19-21-10-4-1-5-11-21/h1,4-5,10-11,22H,2-3,6-9,12-20H2,(H,26,31)(H,27,30)/p+2/t22-/m1/s1