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

Systemtic Name: 2-[4-[(3-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-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-[(3-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-(3-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=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC(CC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)N[C@H](CC3=CC=CC=C3)C(=O)C

InChI

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