2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]acetamide Formula: C25H40N4O2+2 MolecularWeight: 428.6107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3(CCCC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3(CCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C25H38N4O2/c1-20-7-9-21(10-8-20)18-28-16-13-26-24(31)22(28)17-23(30)27-19-25(11-3-4-12-25)29-14-5-2-6-15-29/h7-10,22H,2-6,11-19H2,1H3,(H,26,31)(H,27,30)/p+2/t22-/m1/s1