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

Systemtic Name: N-[(2-methylphenyl)methyl]-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(o-tolylmethyl)-2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2-methylphenyl)methyl]-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-methylphenyl)methyl]-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]-N-(2-methylbenzyl)acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=CC=C3C

InChI

InChI=1S/C22H27N3O2/c1-16-7-9-18(10-8-16)15-25-12-11-23-22(27)20(25)13-21(26)24-14-19-6-4-3-5-17(19)2/h3-10,20H,11-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t20-/m1/s1