2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(5-morpholin-4-ium-4-ylpentyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(5-morpholin-4-ium-4-ylpentyl)ethanamide Openeye Name: N-(5-morpholin-4-ium-4-ylpentyl)-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[5-(4-morpholin-4-iumyl)pentyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(5-morpholin-4-ium-4-ylpentyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-(5-morpholin-4-ium-4-ylpentyl)acetamide Formula: C23H38N4O3+2 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCCC[NH+]3CCOCC3

InChI

InChI=1S/C23H36N4O3/c1-19-7-3-4-8-20(19)18-27-12-10-25-23(29)21(27)17-22(28)24-9-5-2-6-11-26-13-15-30-16-14-26/h3-4,7-8,21H,2,5-6,9-18H2,1H3,(H,24,28)(H,25,29)/p+2/t21-/m1/s1