2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1R)-1-benzyl-2-oxo-propyl]-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1R)-1-benzyl-2-keto-propyl]-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C24H33N3O2+2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC(CC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N[C@H](CC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C24H31N3O2/c1-19-8-6-7-11-22(19)17-26-12-14-27(15-13-26)18-24(29)25-23(20(2)28)16-21-9-4-3-5-10-21/h3-11,23H,12-18H2,1-2H3,(H,25,29)/p+2/t23-/m1/s1